The three title compounds tri-
-carbonyl-1:2
2C;1:3
2C;2:3
2C-octacarbonyl-1
C,2
2C,3
2C,4
3C-
5-methylcyclopentadienyl-
tetrahedro-triiridiummolybdenum(3
Ir-
Ir)(3
Ir-
Mo), tri-
-carbonyl-1:2
2C;1:3
2C;2:3
2C-octacarbonyl-1
C,2
2C,3
2C,4
3C-
5-tetramethylcyclopentadienyl-
tetrahedro-triiridiummolybdenum(3
Ir-
Ir)(3
Ir-
Mo) and tri-
-carbonyl-1:2
2C;1:3
2C;2:3
2C-octacarbonyl-1
C,2
2C,3
2C,4
3C-
5-pentamethylcyclopentadienyl-
tetrahedro-triiridiummolybdenum(3
Ir-
Ir)(3
Ir-
Mo), [MoIr
3(
5-C
5H
5-nMe
n)(
-CO)
3(CO)
8], where
n = 1, 4 or 5, have a pseudotetrahedral MoIr
3 core geometry, with a
5-C
5H
5-nMe
n group ligating the Mo atom, bridging carbonyls spanning the edges of an MoIr
2 face, and eight terminally bound carbonyls.
Supporting information
CCDC references: 184473; 184474; 184475
For all compounds, data collection: MSC/AFC Diffractometer Control; cell refinement: MSC/AFC Diffractometer Control; data reduction: TEXSAN (MSC, 1992-1997). Program(s) used to solve structure: SIR92 (Altomare, et al. 1993) for (I); DIRDIF92 PATTY (Beurskens, 1992) for (II), (III). For all compounds, program(s) used to refine structure: TEXSAN (MSC, 1992-1997); software used to prepare material for publication: TEXSAN (MSC, 1992-1997).
Crystal data top
C17H7Ir3MoO11 | Dx = 3.230 Mg m−3 |
Mr = 1059.84 | Mo Kα radiation, λ = 0.7107 Å |
Orthorhombic, Pbca | Cell parameters from 23 reflections |
a = 12.287 (4) Å | θ = 2.8–17.4° |
b = 14.352 (4) Å | µ = 18.93 mm−1 |
c = 24.719 (3) Å | T = 296 K |
V = 4359 (2) Å3 | Plate, orange |
Z = 8 | 0.30 × 0.25 × 0.10 mm |
F(000) = 3760.00 | |
Data collection top
Rigaku AFC6S diffractometer | 2961 reflections with I > 1.50σ(I) |
Radiation source: X-ray tube | Rint = 0 |
Graphite monochromator | θmax = 25.0°, θmin = 1.6° |
ω–2θ scans | h = 0→14 |
Absorption correction: ψ scan ψ scans (North, Phillips & Matthews, 1968) | k = 0→17 |
Tmin = 0.006, Tmax = 0.151 | l = 0→29 |
4329 measured reflections | 3 standard reflections every 150 reflections |
3850 independent reflections | intensity decay: 6.7% |
Refinement top
Refinement on F | 0 constraints |
Least-squares matrix: full | H-atom parameters not refined |
R[F2 > 2σ(F2)] = 0.034 | Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + 0.00010|Fo|2] |
wR(F2) = 0.034 | (Δ/σ)max = 0.0004 |
S = 1.43 | Δρmax = 1.16 e Å−3 |
2961 reflections | Δρmin = −1.21 e Å−3 |
290 parameters | Extinction correction: Zachariasen (1967), equ(3) Acta Cryst.(1968) A24, p213. |
0 restraints | Extinction coefficient: 0.000000210 (4) |
Special details top
Experimental. The scan width was (0.80 + 0.34tanθ)° with an ω scan speed of 2° per minute
(up to 5 scans to achieve I/σ(I) > 10). Stationary background counts were
recorded at each end of the scan, and the scan time:background time ratio was
2:1. A numerical absorption correction is preferable for this crystal, but
this option was not available at the time of data collection. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ir1 | 0.45671 (4) | 0.20974 (4) | 0.18945 (2) | 0.0314 (1) | |
Ir2 | 0.60438 (4) | 0.17593 (4) | 0.11064 (2) | 0.0323 (1) | |
Ir3 | 0.39398 (4) | 0.20350 (4) | 0.08486 (2) | 0.0292 (1) | |
Mo4 | 0.52267 (9) | 0.35967 (8) | 0.12257 (4) | 0.0283 (3) | |
O11 | 0.570 (1) | 0.272 (1) | 0.2927 (4) | 0.088 (5) | |
O12 | 0.5595 (9) | 0.0130 (8) | 0.1890 (4) | 0.062 (4) | |
O14 | 0.3113 (8) | 0.3836 (7) | 0.1954 (4) | 0.050 (3) | |
O15 | 0.2574 (9) | 0.1191 (9) | 0.2360 (4) | 0.072 (4) | |
O21 | 0.643 (1) | 0.0299 (9) | 0.0252 (4) | 0.077 (4) | |
O22 | 0.8300 (8) | 0.2075 (8) | 0.1553 (4) | 0.067 (4) | |
O24 | 0.6541 (8) | 0.3090 (7) | 0.0166 (3) | 0.053 (3) | |
O31 | 0.340 (1) | −0.0011 (8) | 0.1002 (5) | 0.076 (4) | |
O32 | 0.4172 (9) | 0.2057 (9) | −0.0381 (4) | 0.080 (4) | |
O33 | 0.1669 (8) | 0.2902 (7) | 0.0937 (4) | 0.055 (3) | |
O41 | 0.3710 (8) | 0.4281 (7) | 0.0303 (4) | 0.055 (3) | |
C11 | 0.529 (1) | 0.246 (1) | 0.2556 (6) | 0.052 (5) | |
C12 | 0.549 (1) | 0.087 (1) | 0.1729 (5) | 0.042 (4) | |
C14 | 0.385 (1) | 0.349 (1) | 0.1768 (5) | 0.039 (4) | |
C15 | 0.331 (1) | 0.152 (1) | 0.2200 (5) | 0.043 (4) | |
C21 | 0.631 (1) | 0.084 (1) | 0.0581 (6) | 0.047 (4) | |
C22 | 0.746 (1) | 0.191 (1) | 0.1380 (4) | 0.040 (4) | |
C24 | 0.612 (1) | 0.294 (1) | 0.0576 (5) | 0.040 (4) | |
C31 | 0.359 (1) | 0.075 (1) | 0.0935 (5) | 0.043 (4) | |
C32 | 0.409 (1) | 0.206 (1) | 0.0072 (5) | 0.051 (5) | |
C33 | 0.249 (1) | 0.258 (1) | 0.0911 (5) | 0.039 (4) | |
C41 | 0.422 (1) | 0.3959 (9) | 0.0656 (5) | 0.033 (4) | |
C401 | 0.531 (1) | 0.5205 (9) | 0.1316 (6) | 0.042 (4) | |
C402 | 0.617 (1) | 0.4896 (9) | 0.0990 (5) | 0.040 (4) | |
C403 | 0.689 (1) | 0.436 (1) | 0.1295 (6) | 0.049 (5) | |
C404 | 0.648 (2) | 0.431 (1) | 0.1816 (7) | 0.065 (6) | |
C405 | 0.550 (2) | 0.481 (1) | 0.1829 (6) | 0.064 (6) | |
C411 | 0.447 (2) | 0.588 (1) | 0.1166 (9) | 0.088 (7) | |
H402 | 0.6246 | 0.5030 | 0.0616 | 0.048* | |
H403 | 0.7545 | 0.4081 | 0.1169 | 0.059* | |
H404 | 0.6799 | 0.3991 | 0.2113 | 0.078* | |
H405 | 0.5038 | 0.4881 | 0.2135 | 0.077* | |
H411a | 0.4644 | 0.6470 | 0.1314 | 0.106* | |
H411b | 0.4432 | 0.5923 | 0.0783 | 0.106* | |
H411c | 0.3788 | 0.5676 | 0.1303 | 0.106* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ir1 | 0.0345 (3) | 0.0349 (3) | 0.0246 (2) | −0.0017 (3) | 0.0011 (2) | 0.0029 (2) |
Ir2 | 0.0307 (3) | 0.0349 (3) | 0.0313 (2) | 0.0057 (3) | 0.0002 (2) | −0.0019 (2) |
Ir3 | 0.0299 (3) | 0.0305 (3) | 0.0272 (2) | −0.0028 (3) | −0.0027 (2) | −0.0030 (2) |
Mo4 | 0.0306 (6) | 0.0269 (6) | 0.0275 (5) | −0.0032 (5) | −0.0024 (5) | 0.0004 (4) |
O11 | 0.10 (1) | 0.13 (1) | 0.039 (6) | −0.037 (9) | −0.027 (6) | −0.017 (7) |
O12 | 0.072 (8) | 0.049 (7) | 0.064 (7) | 0.010 (6) | 0.012 (6) | 0.017 (6) |
O14 | 0.042 (6) | 0.047 (7) | 0.061 (6) | 0.007 (5) | 0.015 (5) | −0.011 (5) |
O15 | 0.050 (7) | 0.10 (1) | 0.064 (7) | −0.030 (7) | 0.025 (6) | 0.016 (6) |
O21 | 0.078 (8) | 0.083 (9) | 0.069 (7) | 0.029 (7) | −0.004 (6) | −0.043 (7) |
O22 | 0.045 (7) | 0.085 (9) | 0.070 (7) | −0.005 (7) | −0.020 (6) | −0.005 (6) |
O24 | 0.058 (6) | 0.064 (8) | 0.036 (5) | −0.002 (6) | 0.012 (5) | 0.013 (5) |
O31 | 0.10 (1) | 0.038 (7) | 0.093 (9) | −0.021 (7) | −0.015 (7) | 0.002 (6) |
O32 | 0.086 (9) | 0.12 (1) | 0.031 (5) | −0.020 (8) | 0.001 (5) | −0.013 (6) |
O33 | 0.033 (6) | 0.055 (7) | 0.076 (7) | 0.005 (6) | 0.000 (5) | −0.012 (6) |
O41 | 0.064 (7) | 0.045 (6) | 0.055 (6) | −0.007 (6) | −0.021 (5) | 0.019 (5) |
C11 | 0.06 (1) | 0.052 (9) | 0.042 (8) | 0.000 (9) | −0.002 (8) | 0.007 (7) |
C12 | 0.043 (8) | 0.037 (9) | 0.044 (7) | −0.001 (8) | −0.010 (7) | 0.008 (7) |
C14 | 0.044 (9) | 0.040 (9) | 0.033 (7) | 0.003 (8) | −0.003 (6) | −0.002 (6) |
C15 | 0.051 (9) | 0.05 (1) | 0.025 (6) | −0.011 (8) | 0.002 (6) | 0.000 (6) |
C21 | 0.05 (1) | 0.033 (8) | 0.055 (8) | 0.003 (8) | 0.008 (8) | 0.002 (7) |
C22 | 0.032 (7) | 0.05 (1) | 0.034 (6) | 0.007 (8) | 0.005 (6) | 0.002 (6) |
C24 | 0.039 (8) | 0.050 (9) | 0.031 (6) | 0.000 (8) | 0.008 (6) | −0.001 (6) |
C31 | 0.05 (1) | 0.035 (9) | 0.038 (7) | −0.011 (8) | 0.003 (7) | 0.002 (7) |
C32 | 0.045 (9) | 0.07 (1) | 0.040 (8) | −0.002 (9) | −0.004 (7) | −0.009 (8) |
C33 | 0.032 (7) | 0.049 (9) | 0.036 (7) | −0.017 (8) | −0.002 (6) | 0.003 (6) |
C41 | 0.035 (8) | 0.035 (8) | 0.029 (6) | 0.001 (6) | 0.000 (6) | 0.003 (6) |
C401 | 0.038 (8) | 0.024 (8) | 0.063 (9) | −0.012 (7) | −0.004 (7) | −0.004 (7) |
C402 | 0.051 (9) | 0.027 (8) | 0.042 (7) | −0.018 (7) | −0.003 (7) | 0.001 (6) |
C403 | 0.023 (7) | 0.036 (9) | 0.09 (1) | −0.010 (7) | 0.006 (7) | −0.004 (8) |
C404 | 0.09 (1) | 0.04 (1) | 0.07 (1) | −0.03 (1) | −0.03 (1) | −0.007 (8) |
C405 | 0.09 (1) | 0.04 (1) | 0.06 (1) | −0.03 (1) | 0.03 (1) | −0.027 (8) |
C411 | 0.07 (1) | 0.03 (1) | 0.16 (2) | 0.01 (1) | −0.01 (1) | −0.02 (1) |
Geometric parameters (Å, º) top
Ir1—Ir2 | 2.7061 (8) | O11—C11 | 1.11 (2) |
Ir1—Ir3 | 2.6993 (6) | O12—C12 | 1.14 (2) |
Ir2—Ir3 | 2.692 (1) | O14—C14 | 1.13 (1) |
Ir1—Mo4 | 2.832 (1) | O15—C15 | 1.09 (2) |
Ir2—Mo4 | 2.837 (1) | O21—C21 | 1.13 (2) |
Ir3—Mo4 | 2.897 (1) | O22—C22 | 1.14 (1) |
Ir1—C11 | 1.93 (1) | O24—C24 | 1.16 (1) |
Ir1—C12 | 2.13 (1) | O31—C31 | 1.13 (2) |
Ir1—C14 | 2.20 (1) | O32—C32 | 1.13 (1) |
Ir1—C15 | 1.91 (1) | O33—C33 | 1.11 (2) |
Ir2—C12 | 2.11 (1) | O41—C41 | 1.17 (1) |
Ir2—C21 | 1.88 (1) | C401—C402 | 1.40 (2) |
Ir2—C22 | 1.88 (1) | C401—C405 | 1.40 (2) |
Ir2—C24 | 2.15 (1) | C401—C411 | 1.46 (2) |
Ir3—C31 | 1.90 (1) | C402—C403 | 1.40 (2) |
Ir3—C32 | 1.93 (1) | C402—H402 | 0.95 |
Ir3—C33 | 1.95 (1) | C403—C404 | 1.39 (2) |
Mo4—C14 | 2.17 (1) | C403—H403 | 0.95 |
Mo4—C24 | 2.16 (1) | C404—C405 | 1.40 (2) |
Mo4—C41 | 1.95 (1) | C404—H404 | 0.95 |
Mo4—C401 | 2.32 (1) | C405—H405 | 0.95 |
Mo4—C402 | 2.27 (1) | C411—H411a | 0.95 |
Mo4—C403 | 2.33 (1) | C411—H411b | 0.95 |
Mo4—C404 | 2.35 (1) | C411—H411c | 0.95 |
Mo4—C405 | 2.32 (1) | | |
| | | |
O11···O33i | 3.06 (1) | O32···O33vii | 3.36 (1) |
O11···O15i | 3.26 (2) | O32···C22ix | 3.57 (2) |
O11···O22ii | 3.35 (2) | O33···C411viii | 3.27 (2) |
O11···O14i | 3.38 (1) | O41···C402x | 3.41 (1) |
O11···C411iii | 3.48 (2) | C21···C402iv | 3.53 (2) |
O12···O15i | 3.42 (1) | C21···C403iv | 3.53 (2) |
O12···C405iii | 3.47 (2) | C22···C402iv | 3.48 (2) |
O12···C403iv | 3.60 (2) | C33···C411viii | 3.49 (2) |
O14···O31v | 3.42 (2) | Ir1···C15 | 1.91 (1) |
O15···O22ii | 3.10 (1) | Ir1···C11 | 1.93 (1) |
O15···C22ii | 3.28 (1) | Ir1···C12 | 2.13 (1) |
O15···C11ii | 3.35 (2) | Ir1···C14 | 2.20 (1) |
O15···C12ii | 3.44 (2) | Ir1···C31 | 3.29 (1) |
O15···C404iii | 3.58 (2) | Ir1···C33 | 3.59 (1) |
O21···O31vi | 3.13 (2) | Ir2···C22 | 1.88 (1) |
O21···O41vii | 3.18 (2) | Ir2···C21 | 1.88 (1) |
O21···C31vi | 3.30 (2) | Ir2···C12 | 2.11 (1) |
O21···O32vi | 3.48 (2) | Ir2···C24 | 2.15 (1) |
O21···C402iv | 3.52 (2) | Ir2···C31 | 3.37 (1) |
O21···C32vi | 3.53 (2) | Ir2···C32 | 3.53 (1) |
O21···C403iv | 3.57 (2) | Ir3···C31 | 1.90 (1) |
O22···C15i | 3.18 (2) | Ir3···C32 | 1.93 (1) |
O22···C401iv | 3.23 (2) | Ir3···C33 | 1.95 (1) |
O22···O32vii | 3.33 (1) | Ir3···C41 | 2.82 (1) |
O22···C11i | 3.34 (2) | Ir3···C24 | 3.05 (1) |
O22···C411iv | 3.37 (2) | Ir3···C14 | 3.08 (1) |
O22···C402iv | 3.48 (2) | Ir3···C12 | 3.34 (1) |
O24···C33vii | 3.06 (1) | Ir3···C21 | 3.45 (1) |
O24···O33vii | 3.08 (1) | Ir3···C15 | 3.51 (1) |
O24···C32vii | 3.19 (2) | Mo4···C41 | 1.95 (1) |
O24···O32vii | 3.28 (2) | Mo4···C24 | 2.16 (1) |
O31···O33viii | 3.00 (2) | Mo4···C14 | 2.17 (1) |
O31···O41viii | 3.27 (2) | | |
| | | |
Ir2—Ir1—Ir3 | 59.73 (2) | Ir3—Mo4—C405 | 150.2 (4) |
Ir2—Ir1—Mo4 | 61.58 (3) | C14—Mo4—C24 | 145.7 (5) |
Ir3—Ir1—Mo4 | 63.12 (3) | C14—Mo4—C41 | 88.3 (5) |
Ir1—Ir2—Ir3 | 60.01 (2) | C14—Mo4—C401 | 92.8 (5) |
Ir1—Ir2—Mo4 | 61.40 (3) | C14—Mo4—C402 | 128.1 (5) |
Ir3—Ir2—Mo4 | 63.14 (3) | C14—Mo4—C403 | 132.6 (5) |
Ir1—Ir3—Ir2 | 60.26 (2) | C14—Mo4—C404 | 99.1 (6) |
Ir1—Ir3—Mo4 | 60.68 (2) | C14—Mo4—C405 | 76.7 (5) |
Ir2—Ir3—Mo4 | 60.88 (3) | C24—Mo4—C41 | 84.3 (5) |
Ir1—Mo4—Ir2 | 57.02 (3) | C24—Mo4—C401 | 118.6 (5) |
Ir1—Mo4—Ir3 | 56.20 (2) | C24—Mo4—C402 | 84.6 (5) |
Ir2—Mo4—Ir3 | 55.98 (3) | C24—Mo4—C403 | 79.2 (5) |
Ir2—Ir1—C11 | 110.4 (4) | C24—Mo4—C404 | 108.6 (6) |
Ir2—Ir1—C12 | 50.1 (4) | C24—Mo4—C405 | 137.0 (5) |
Ir2—Ir1—C14 | 109.2 (3) | C41—Mo4—C401 | 80.4 (5) |
Ir2—Ir1—C15 | 138.7 (4) | C41—Mo4—C402 | 85.3 (5) |
Ir3—Ir1—C11 | 161.9 (4) | C41—Mo4—C403 | 119.1 (5) |
Ir3—Ir1—C12 | 86.6 (3) | C41—Mo4—C404 | 138.4 (6) |
Ir3—Ir1—C14 | 77.2 (3) | C41—Mo4—C405 | 110.8 (6) |
Ir3—Ir1—C15 | 97.6 (4) | C401—Mo4—C402 | 35.4 (5) |
Mo4—Ir1—C11 | 99.0 (4) | C401—Mo4—C403 | 59.0 (5) |
Mo4—Ir1—C12 | 111.3 (4) | C401—Mo4—C404 | 58.5 (5) |
Mo4—Ir1—C14 | 49.0 (4) | C401—Mo4—C405 | 35.2 (5) |
Mo4—Ir1—C15 | 142.3 (4) | C402—Mo4—C403 | 35.4 (5) |
C11—Ir1—C12 | 98.0 (6) | C402—Mo4—C404 | 58.0 (5) |
C11—Ir1—C14 | 93.5 (5) | C402—Mo4—C405 | 58.2 (5) |
C11—Ir1—C15 | 98.9 (5) | C403—Mo4—C404 | 34.5 (5) |
C12—Ir1—C14 | 158.9 (5) | C403—Mo4—C405 | 58.1 (5) |
C12—Ir1—C15 | 98.6 (6) | C404—Mo4—C405 | 34.9 (6) |
C14—Ir1—C15 | 97.0 (6) | Ir1—C11—O11 | 176 (2) |
Ir1—Ir2—C12 | 50.8 (4) | Ir1—C12—Ir2 | 79.2 (5) |
Ir1—Ir2—C21 | 137.7 (4) | Ir1—C12—O12 | 140 (1) |
Ir1—Ir2—C22 | 109.9 (3) | Ir2—C12—O12 | 141 (1) |
Ir1—Ir2—C24 | 109.0 (3) | Ir1—C14—Mo4 | 80.8 (5) |
Ir3—Ir2—C12 | 87.3 (4) | Ir1—C14—O14 | 132 (1) |
Ir3—Ir2—C21 | 96.2 (4) | Mo4—C14—O14 | 148 (1) |
Ir3—Ir2—C22 | 163.2 (4) | Ir1—C15—O15 | 178 (1) |
Ir3—Ir2—C24 | 77.3 (4) | Ir2—C21—O21 | 177 (1) |
Mo4—Ir2—C12 | 111.8 (4) | Ir2—C22—O22 | 174 (1) |
Mo4—Ir2—C21 | 141.9 (4) | Ir2—C24—Mo4 | 82.4 (4) |
Mo4—Ir2—C22 | 100.6 (4) | Ir2—C24—O24 | 134 (1) |
Mo4—Ir2—C24 | 48.9 (3) | Mo4—C24—O24 | 143 (1) |
C12—Ir2—C21 | 97.8 (6) | Ir3—C31—O31 | 178 (1) |
C12—Ir2—C22 | 96.0 (5) | Ir3—C32—O32 | 179 (1) |
C12—Ir2—C24 | 159.4 (5) | Ir3—C33—O33 | 178 (1) |
C21—Ir2—C22 | 99.6 (6) | Mo4—C41—O41 | 171 (1) |
C21—Ir2—C24 | 97.3 (5) | Mo4—C401—C402 | 70.3 (8) |
C22—Ir2—C24 | 95.1 (5) | Mo4—C401—C405 | 72.4 (8) |
Ir1—Ir3—C31 | 89.3 (4) | Mo4—C401—C411 | 127 (1) |
Ir1—Ir3—C32 | 157.7 (4) | C402—C401—C405 | 106 (1) |
Ir1—Ir3—C33 | 99.9 (3) | C402—C401—C411 | 127 (2) |
Ir2—Ir3—C31 | 92.6 (4) | C405—C401—C411 | 127 (2) |
Ir2—Ir3—C32 | 98.4 (4) | Mo4—C402—C401 | 74.3 (8) |
Ir2—Ir3—C33 | 156.5 (4) | Mo4—C402—C403 | 74.5 (8) |
Mo4—Ir3—C31 | 146.6 (4) | Mo4—C402—H402 | 117.9 |
Mo4—Ir3—C32 | 104.8 (4) | C401—C402—C403 | 110 (1) |
Mo4—Ir3—C33 | 99.4 (4) | C401—C402—H402 | 125.0 |
C31—Ir3—C32 | 98.5 (6) | C403—C402—H402 | 125.0 |
C31—Ir3—C33 | 100.0 (6) | Mo4—C403—C402 | 70.1 (7) |
C32—Ir3—C33 | 99.2 (5) | Mo4—C403—C404 | 73.8 (8) |
Ir1—Mo4—C14 | 50.2 (4) | Mo4—C403—H403 | 121.4 |
Ir1—Mo4—C24 | 104.5 (4) | C402—C403—C404 | 107 (1) |
Ir1—Mo4—C41 | 116.3 (4) | C402—C403—H403 | 126.4 |
Ir1—Mo4—C401 | 135.4 (4) | C404—C403—H403 | 126.4 |
Ir1—Mo4—C402 | 156.9 (3) | Mo4—C404—C403 | 71.7 (8) |
Ir1—Mo4—C403 | 124.5 (4) | Mo4—C404—C405 | 71.3 (9) |
Ir1—Mo4—C404 | 98.9 (4) | Mo4—C404—H404 | 122.7 |
Ir1—Mo4—C405 | 103.8 (4) | C403—C404—C405 | 108 (1) |
Ir2—Mo4—C14 | 105.9 (4) | C403—C404—H404 | 126.0 |
Ir2—Mo4—C24 | 48.7 (4) | C405—C404—H404 | 126.0 |
Ir2—Mo4—C41 | 113.5 (4) | Mo4—C405—C401 | 72.4 (8) |
Ir2—Mo4—C401 | 156.6 (3) | Mo4—C405—C404 | 73.8 (8) |
Ir2—Mo4—C402 | 123.8 (4) | Mo4—C405—H405 | 120.1 |
Ir2—Mo4—C403 | 97.7 (4) | C401—C405—C404 | 109 (1) |
Ir2—Mo4—C404 | 103.8 (5) | C401—C405—H405 | 125.5 |
Ir2—Mo4—C405 | 135.7 (5) | C404—C405—H405 | 125.5 |
Ir3—Mo4—C14 | 73.5 (3) | C401—C411—H411a | 109.5 |
Ir3—Mo4—C24 | 72.7 (4) | C401—C411—H411b | 109.5 |
Ir3—Mo4—C41 | 68.1 (4) | C401—C411—H411c | 109.5 |
Ir3—Mo4—C401 | 145.6 (3) | H411a—C411—H411b | 109.5 |
Ir3—Mo4—C402 | 146.2 (3) | H411a—C411—H411c | 109.5 |
Ir3—Mo4—C403 | 150.2 (4) | H411b—C411—H411c | 109.5 |
Ir3—Mo4—C404 | 153.2 (4) | | |
| | | |
Ir1—Ir2—Ir3—Mo4 | 70.90 (3) | Mo4—C405—C404—C403 | 63 (1) |
Ir1—Ir2—Ir3—C31 | −87.7 (4) | O12—C12—Ir1—C11 | 72 (2) |
Ir1—Ir2—Ir3—C32 | 173.2 (5) | O12—C12—Ir1—C14 | −166 (2) |
Ir1—Ir2—Ir3—C33 | 35 (1) | O12—C12—Ir1—C15 | −29 (2) |
Ir1—Ir2—Mo4—Ir3 | −68.77 (2) | O12—C12—Ir2—C21 | 30 (2) |
Ir1—Ir2—Mo4—C14 | −12.0 (3) | O12—C12—Ir2—C22 | −71 (2) |
Ir1—Ir2—Mo4—C24 | −165.4 (5) | O12—C12—Ir2—C24 | 167 (2) |
Ir1—Ir2—Mo4—C41 | −107.1 (4) | O14—C14—Ir1—C11 | −79 (1) |
Ir1—Ir2—Mo4—C401 | 129.8 (9) | O14—C14—Ir1—C12 | 158 (1) |
Ir1—Ir2—Mo4—C402 | 152.3 (4) | O14—C14—Ir1—C15 | 20 (1) |
Ir1—Ir2—Mo4—C403 | 126.4 (4) | O14—C14—Mo4—C24 | −132 (2) |
Ir1—Ir2—Mo4—C404 | 91.8 (5) | O14—C14—Mo4—C41 | −55 (2) |
Ir1—Ir2—Mo4—C405 | 75.1 (5) | O14—C14—Mo4—C401 | 25 (2) |
Ir1—Ir2—C12—O12 | 178 (2) | O14—C14—Mo4—C402 | 27 (2) |
Ir1—Ir2—C24—Mo4 | 13.6 (4) | O14—C14—Mo4—C403 | 74 (2) |
Ir1—Ir2—C24—O24 | −172 (1) | O14—C14—Mo4—C404 | 84 (2) |
Ir1—Ir3—Ir2—Mo4 | −70.90 (3) | O14—C14—Mo4—C405 | 57 (2) |
Ir1—Ir3—Ir2—C12 | 45.3 (4) | O24—C24—Ir2—C12 | −162 (1) |
Ir1—Ir3—Ir2—C21 | 142.8 (4) | O24—C24—Ir2—C21 | −25 (2) |
Ir1—Ir3—Ir2—C22 | −56 (1) | O24—C24—Ir2—C22 | 75 (2) |
Ir1—Ir3—Ir2—C24 | −121.0 (3) | O24—C24—Mo4—C14 | 136 (2) |
Ir1—Ir3—Mo4—Ir2 | 70.22 (2) | O24—C24—Mo4—C41 | 58 (2) |
Ir1—Ir3—Mo4—C14 | −52.7 (4) | O24—C24—Mo4—C401 | −18 (2) |
Ir1—Ir3—Mo4—C24 | 121.6 (4) | O24—C24—Mo4—C402 | −28 (2) |
Ir1—Ir3—Mo4—C41 | −147.6 (4) | O24—C24—Mo4—C403 | −63 (2) |
Ir1—Ir3—Mo4—C401 | −122.7 (6) | O24—C24—Mo4—C404 | −82 (2) |
Ir1—Ir3—Mo4—C402 | 171.7 (7) | O24—C24—Mo4—C405 | −57 (2) |
Ir1—Ir3—Mo4—C403 | 101.7 (8) | C11—Ir1—Ir2—C12 | 83.3 (7) |
Ir1—Ir3—Mo4—C404 | 25 (1) | C11—Ir1—Ir2—C21 | 133.6 (8) |
Ir1—Ir3—Mo4—C405 | −54 (1) | C11—Ir1—Ir2—C22 | 2.1 (7) |
Ir1—Mo4—Ir2—Ir3 | 68.77 (2) | C11—Ir1—Ir2—C24 | −101.0 (6) |
Ir1—Mo4—Ir2—C12 | −6.1 (4) | C11—Ir1—Ir3—C31 | 154 (2) |
Ir1—Mo4—Ir2—C21 | 132.1 (7) | C11—Ir1—Ir3—C32 | 43 (2) |
Ir1—Mo4—Ir2—C22 | −107.0 (4) | C11—Ir1—Ir3—C33 | −106 (2) |
Ir1—Mo4—Ir2—C24 | 165.4 (5) | C11—Ir1—Mo4—C14 | −86.8 (6) |
Ir1—Mo4—Ir3—Ir2 | −70.22 (2) | C11—Ir1—Mo4—C24 | 119.7 (6) |
Ir1—Mo4—Ir3—C31 | −28.8 (7) | C11—Ir1—Mo4—C41 | −149.6 (6) |
Ir1—Mo4—Ir3—C32 | −161.7 (4) | C11—Ir1—Mo4—C401 | −45.9 (7) |
Ir1—Mo4—Ir3—C33 | 96.1 (4) | C11—Ir1—Mo4—C402 | 9 (1) |
Ir1—Mo4—C14—O14 | 178 (2) | C11—Ir1—Mo4—C403 | 33.0 (6) |
Ir1—Mo4—C24—Ir2 | −12.6 (4) | C11—Ir1—Mo4—C404 | 7.7 (7) |
Ir1—Mo4—C24—O24 | 174 (2) | C11—Ir1—Mo4—C405 | −27.6 (7) |
Ir1—Mo4—C401—C402 | 146.5 (6) | C12—Ir1—Ir2—C21 | 50.3 (8) |
Ir1—Mo4—C401—C405 | 32 (1) | C12—Ir1—Ir2—C22 | −81.2 (7) |
Ir1—Mo4—C401—C411 | −92 (2) | C12—Ir1—Ir2—C24 | 175.8 (6) |
Ir1—Mo4—C402—C401 | −81 (1) | C12—Ir1—Ir3—C31 | 48.7 (6) |
Ir1—Mo4—C402—C403 | 36 (2) | C12—Ir1—Ir3—C32 | −63 (1) |
Ir1—Mo4—C403—C402 | −163.8 (7) | C12—Ir1—Ir3—C33 | 148.7 (6) |
Ir1—Mo4—C403—C404 | −48 (1) | C12—Ir1—Mo4—C14 | 170.9 (6) |
Ir1—Mo4—C404—C403 | 141.6 (9) | C12—Ir1—Mo4—C24 | 17.3 (5) |
Ir1—Mo4—C404—C405 | −101.4 (9) | C12—Ir1—Mo4—C41 | 108.1 (6) |
Ir1—Mo4—C405—C401 | −157.6 (8) | C12—Ir1—Mo4—C401 | −148.2 (6) |
Ir1—Mo4—C405—C404 | 85.8 (9) | C12—Ir1—Mo4—C402 | −94 (1) |
Ir1—C12—Ir2—Ir3 | −52.6 (3) | C12—Ir1—Mo4—C403 | −69.3 (6) |
Ir1—C12—Ir2—Mo4 | 7.0 (4) | C12—Ir1—Mo4—C404 | −94.6 (6) |
Ir1—C12—Ir2—C21 | −148.5 (5) | C12—Ir1—Mo4—C405 | −129.9 (6) |
Ir1—C12—Ir2—C22 | 110.9 (5) | C12—Ir2—Ir1—C14 | −175.3 (6) |
Ir1—C12—Ir2—C24 | −11 (2) | C12—Ir2—Ir1—C15 | −49.1 (8) |
Ir1—C14—Mo4—Ir2 | 13.2 (4) | C12—Ir2—Ir3—C31 | −42.4 (5) |
Ir1—C14—Mo4—Ir3 | 59.5 (2) | C12—Ir2—Ir3—C32 | −141.5 (6) |
Ir1—C14—Mo4—C24 | 49.9 (9) | C12—Ir2—Ir3—C33 | 80 (1) |
Ir1—C14—Mo4—C41 | 127.1 (5) | C12—Ir2—Mo4—C14 | −18.2 (5) |
Ir1—C14—Mo4—C401 | −152.6 (4) | C12—Ir2—Mo4—C24 | −171.5 (6) |
Ir1—C14—Mo4—C402 | −150.2 (5) | C12—Ir2—Mo4—C41 | −113.3 (5) |
Ir1—C14—Mo4—C403 | −103.6 (7) | C12—Ir2—Mo4—C401 | 124 (1) |
Ir1—C14—Mo4—C404 | −94.0 (5) | C12—Ir2—Mo4—C402 | 146.1 (5) |
Ir1—C14—Mo4—C405 | −121.0 (6) | C12—Ir2—Mo4—C403 | 120.3 (6) |
Ir2—Ir1—Ir3—Mo4 | −71.22 (3) | C12—Ir2—Mo4—C404 | 85.7 (6) |
Ir2—Ir1—Ir3—C31 | 93.4 (4) | C12—Ir2—Mo4—C405 | 68.9 (7) |
Ir2—Ir1—Ir3—C32 | −18 (1) | C14—Ir1—Ir2—C21 | −125.0 (7) |
Ir2—Ir1—Ir3—C33 | −166.5 (4) | C14—Ir1—Ir2—C22 | 103.5 (6) |
Ir2—Ir1—Mo4—Ir3 | 68.40 (3) | C14—Ir1—Ir2—C24 | 0.4 (5) |
Ir2—Ir1—Mo4—C14 | 164.9 (4) | C14—Ir1—Ir3—C31 | −145.1 (6) |
Ir2—Ir1—Mo4—C24 | 11.3 (4) | C14—Ir1—Ir3—C32 | 104 (1) |
Ir2—Ir1—Mo4—C41 | 102.0 (4) | C14—Ir1—Ir3—C33 | −45.1 (6) |
Ir2—Ir1—Mo4—C401 | −154.2 (5) | C14—Ir1—Mo4—C24 | −153.6 (6) |
Ir2—Ir1—Mo4—C402 | −100 (1) | C14—Ir1—Mo4—C41 | −62.8 (6) |
Ir2—Ir1—Mo4—C403 | −75.4 (4) | C14—Ir1—Mo4—C401 | 40.9 (7) |
Ir2—Ir1—Mo4—C404 | −100.7 (5) | C14—Ir1—Mo4—C402 | 95 (1) |
Ir2—Ir1—Mo4—C405 | −136.0 (5) | C14—Ir1—Mo4—C403 | 119.8 (6) |
Ir2—Ir1—C12—O12 | −178 (2) | C14—Ir1—Mo4—C404 | 94.5 (7) |
Ir2—Ir1—C14—Mo4 | −14.1 (4) | C14—Ir1—Mo4—C405 | 59.2 (7) |
Ir2—Ir1—C14—O14 | 168 (1) | C14—Mo4—Ir1—C15 | 30.8 (7) |
Ir2—Ir3—Ir1—Mo4 | 71.22 (3) | C14—Mo4—Ir2—C21 | 120.0 (8) |
Ir2—Ir3—Ir1—C11 | 61 (1) | C14—Mo4—Ir2—C22 | −119.1 (5) |
Ir2—Ir3—Ir1—C12 | −44.7 (4) | C14—Mo4—Ir2—C24 | 153.3 (6) |
Ir2—Ir3—Ir1—C14 | 121.5 (4) | C14—Mo4—Ir3—C31 | −81.5 (8) |
Ir2—Ir3—Ir1—C15 | −143.0 (5) | C14—Mo4—Ir3—C32 | 145.6 (6) |
Ir2—Ir3—Mo4—C14 | −123.0 (4) | C14—Mo4—Ir3—C33 | 43.4 (5) |
Ir2—Ir3—Mo4—C24 | 51.4 (4) | C14—Mo4—C401—C402 | 176.7 (8) |
Ir2—Ir3—Mo4—C41 | 142.1 (4) | C14—Mo4—C401—C405 | 62 (1) |
Ir2—Ir3—Mo4—C401 | 167.1 (6) | C14—Mo4—C401—C411 | −62 (2) |
Ir2—Ir3—Mo4—C402 | 101.5 (7) | C14—Mo4—C402—C401 | −4 (1) |
Ir2—Ir3—Mo4—C403 | 31.4 (8) | C14—Mo4—C402—C403 | 112.4 (9) |
Ir2—Ir3—Mo4—C404 | −46 (1) | C14—Mo4—C403—C402 | −99 (1) |
Ir2—Ir3—Mo4—C405 | −124 (1) | C14—Mo4—C403—C404 | 17 (1) |
Ir2—Mo4—Ir1—Ir3 | −68.40 (3) | C14—Mo4—C404—C403 | −168 (1) |
Ir2—Mo4—Ir1—C11 | 108.4 (4) | C14—Mo4—C404—C405 | −51 (1) |
Ir2—Mo4—Ir1—C12 | 6.1 (4) | C14—Mo4—C405—C401 | −115 (1) |
Ir2—Mo4—Ir1—C14 | −164.9 (4) | C14—Mo4—C405—C404 | 128 (1) |
Ir2—Mo4—Ir1—C15 | −134.1 (6) | C15—Ir1—Ir2—C21 | 1.2 (9) |
Ir2—Mo4—Ir3—C31 | 41.4 (7) | C15—Ir1—Ir2—C22 | −130.3 (8) |
Ir2—Mo4—Ir3—C32 | −91.4 (4) | C15—Ir1—Ir2—C24 | 126.7 (7) |
Ir2—Mo4—Ir3—C33 | 166.3 (4) | C15—Ir1—Ir3—C31 | −49.6 (6) |
Ir2—Mo4—C14—O14 | −169 (2) | C15—Ir1—Ir3—C32 | −161 (1) |
Ir2—Mo4—C24—O24 | −174 (2) | C15—Ir1—Ir3—C33 | 50.4 (6) |
Ir2—Mo4—C401—C402 | 33 (1) | C15—Ir1—Mo4—C24 | −122.8 (7) |
Ir2—Mo4—C401—C405 | −81 (1) | C15—Ir1—Mo4—C41 | −32.0 (7) |
Ir2—Mo4—C401—C411 | 155 (1) | C15—Ir1—Mo4—C401 | 71.7 (8) |
Ir2—Mo4—C402—C401 | −164.8 (7) | C15—Ir1—Mo4—C402 | 126 (1) |
Ir2—Mo4—C402—C403 | −48.3 (9) | C15—Ir1—Mo4—C403 | 150.5 (8) |
Ir2—Mo4—C403—C402 | 141.2 (8) | C15—Ir1—Mo4—C404 | 125.3 (8) |
Ir2—Mo4—C403—C404 | −103 (1) | C15—Ir1—Mo4—C405 | 90.0 (8) |
Ir2—Mo4—C404—C403 | 83.5 (9) | C21—Ir2—Ir3—C31 | 55.1 (6) |
Ir2—Mo4—C404—C405 | −159.4 (9) | C21—Ir2—Ir3—C32 | −44.0 (6) |
Ir2—Mo4—C405—C401 | 145.9 (8) | C21—Ir2—Ir3—C33 | 178 (1) |
Ir2—Mo4—C405—C404 | 29 (1) | C21—Ir2—Mo4—C24 | −33.3 (9) |
Ir2—C12—Ir1—Ir3 | 52.5 (3) | C21—Ir2—Mo4—C41 | 24.9 (8) |
Ir2—C12—Ir1—Mo4 | −6.9 (4) | C21—Ir2—Mo4—C401 | −98 (1) |
Ir2—C12—Ir1—C11 | −109.9 (5) | C21—Ir2—Mo4—C402 | −75.7 (8) |
Ir2—C12—Ir1—C14 | 12 (2) | C21—Ir2—Mo4—C403 | −101.5 (8) |
Ir2—C12—Ir1—C15 | 149.7 (4) | C21—Ir2—Mo4—C404 | −136.1 (9) |
Ir2—C24—Mo4—Ir3 | −59.6 (3) | C21—Ir2—Mo4—C405 | −152.8 (9) |
Ir2—C24—Mo4—C14 | −50 (1) | C22—Ir2—Ir3—C31 | −144 (1) |
Ir2—C24—Mo4—C41 | −128.4 (5) | C22—Ir2—Ir3—C32 | 117 (1) |
Ir2—C24—Mo4—C401 | 155.8 (4) | C22—Ir2—Ir3—C33 | −21 (2) |
Ir2—C24—Mo4—C402 | 145.8 (5) | C22—Ir2—Mo4—C24 | 87.6 (6) |
Ir2—C24—Mo4—C403 | 110.5 (5) | C22—Ir2—Mo4—C41 | 145.8 (5) |
Ir2—C24—Mo4—C404 | 92.2 (5) | C22—Ir2—Mo4—C401 | 22.7 (9) |
Ir2—C24—Mo4—C405 | 117.0 (8) | C22—Ir2—Mo4—C402 | 45.2 (5) |
Ir3—Ir1—Ir2—Mo4 | 73.77 (3) | C22—Ir2—Mo4—C403 | 19.4 (5) |
Ir3—Ir1—Ir2—C12 | −113.6 (5) | C22—Ir2—Mo4—C404 | −15.2 (6) |
Ir3—Ir1—Ir2—C21 | −63.3 (6) | C22—Ir2—Mo4—C405 | −31.9 (6) |
Ir3—Ir1—Ir2—C22 | 165.2 (5) | C24—Ir2—Ir3—C31 | 151.3 (5) |
Ir3—Ir1—Ir2—C24 | 62.2 (4) | C24—Ir2—Ir3—C32 | 52.2 (6) |
Ir3—Ir1—Mo4—C14 | 96.5 (4) | C24—Ir2—Ir3—C33 | −86 (1) |
Ir3—Ir1—Mo4—C24 | −57.1 (4) | C24—Ir2—Mo4—C41 | 58.2 (6) |
Ir3—Ir1—Mo4—C41 | 33.6 (4) | C24—Ir2—Mo4—C401 | −65 (1) |
Ir3—Ir1—Mo4—C401 | 137.4 (5) | C24—Ir2—Mo4—C402 | −42.4 (6) |
Ir3—Ir1—Mo4—C402 | −168 (1) | C24—Ir2—Mo4—C403 | −68.2 (6) |
Ir3—Ir1—Mo4—C403 | −143.8 (4) | C24—Ir2—Mo4—C404 | −102.8 (7) |
Ir3—Ir1—Mo4—C404 | −169.1 (5) | C24—Ir2—Mo4—C405 | −119.5 (7) |
Ir3—Ir1—Mo4—C405 | 155.6 (5) | C24—Mo4—Ir3—C31 | 92.8 (8) |
Ir3—Ir1—C12—O12 | −126 (2) | C24—Mo4—Ir3—C32 | −40.0 (6) |
Ir3—Ir1—C14—Mo4 | −65.3 (2) | C24—Mo4—Ir3—C33 | −142.3 (5) |
Ir3—Ir1—C14—O14 | 116 (1) | C24—Mo4—C401—C402 | −17 (1) |
Ir3—Ir2—Ir1—Mo4 | −73.77 (3) | C24—Mo4—C401—C405 | −132 (1) |
Ir3—Ir2—Ir1—C11 | −163.1 (5) | C24—Mo4—C401—C411 | 104 (2) |
Ir3—Ir2—Ir1—C12 | 113.6 (5) | C24—Mo4—C402—C401 | 164.6 (9) |
Ir3—Ir2—Ir1—C14 | −61.7 (4) | C24—Mo4—C402—C403 | −78.9 (9) |
Ir3—Ir2—Ir1—C15 | 64.5 (6) | C24—Mo4—C403—C402 | 96.0 (9) |
Ir3—Ir2—Mo4—C14 | 56.7 (3) | C24—Mo4—C403—C404 | −148 (1) |
Ir3—Ir2—Mo4—C24 | −96.6 (5) | C24—Mo4—C404—C403 | 33 (1) |
Ir3—Ir2—Mo4—C41 | −38.4 (4) | C24—Mo4—C404—C405 | 150 (1) |
Ir3—Ir2—Mo4—C401 | −161.5 (9) | C24—Mo4—C405—C401 | 73 (1) |
Ir3—Ir2—Mo4—C402 | −139.0 (4) | C24—Mo4—C405—C404 | −44 (1) |
Ir3—Ir2—Mo4—C403 | −164.8 (4) | C31—Ir3—Mo4—C41 | −176.4 (8) |
Ir3—Ir2—Mo4—C404 | 160.6 (5) | C31—Ir3—Mo4—C401 | −151 (1) |
Ir3—Ir2—Mo4—C405 | 143.9 (5) | C31—Ir3—Mo4—C402 | 143 (1) |
Ir3—Ir2—C12—O12 | 126 (2) | C31—Ir3—Mo4—C403 | 73 (1) |
Ir3—Ir2—C24—Mo4 | 65.3 (3) | C31—Ir3—Mo4—C404 | −4 (1) |
Ir3—Ir2—C24—O24 | −120 (2) | C31—Ir3—Mo4—C405 | −83 (1) |
Ir3—Mo4—Ir1—C11 | 176.8 (4) | C32—Ir3—Mo4—C41 | 50.7 (6) |
Ir3—Mo4—Ir1—C12 | 74.5 (4) | C32—Ir3—Mo4—C401 | 75.6 (8) |
Ir3—Mo4—Ir1—C14 | −96.5 (4) | C32—Ir3—Mo4—C402 | 10.0 (8) |
Ir3—Mo4—Ir1—C15 | −65.7 (6) | C32—Ir3—Mo4—C403 | −60.0 (9) |
Ir3—Mo4—Ir2—C12 | −74.9 (4) | C32—Ir3—Mo4—C404 | −137 (1) |
Ir3—Mo4—Ir2—C21 | 63.3 (7) | C32—Ir3—Mo4—C405 | 145 (1) |
Ir3—Mo4—Ir2—C22 | −175.8 (3) | C33—Ir3—Mo4—C41 | −51.5 (5) |
Ir3—Mo4—Ir2—C24 | 96.6 (5) | C33—Ir3—Mo4—C401 | −26.6 (7) |
Ir3—Mo4—C14—O14 | −123 (2) | C33—Ir3—Mo4—C402 | −92.2 (8) |
Ir3—Mo4—C24—O24 | 127 (2) | C33—Ir3—Mo4—C403 | −162.2 (9) |
Ir3—Mo4—C401—C402 | −118.9 (8) | C33—Ir3—Mo4—C404 | 121 (1) |
Ir3—Mo4—C401—C405 | 126.5 (9) | C33—Ir3—Mo4—C405 | 42 (1) |
Ir3—Mo4—C401—C411 | 3 (2) | C41—Mo4—C401—C402 | −95.5 (8) |
Ir3—Mo4—C402—C401 | 117.3 (8) | C41—Mo4—C401—C405 | 150 (1) |
Ir3—Mo4—C402—C403 | −126.2 (8) | C41—Mo4—C401—C411 | 26 (1) |
Ir3—Mo4—C403—C402 | 115.4 (9) | C41—Mo4—C402—C401 | 80.0 (8) |
Ir3—Mo4—C403—C404 | −129.0 (9) | C41—Mo4—C402—C403 | −163.5 (9) |
Ir3—Mo4—C404—C403 | 121 (1) | C41—Mo4—C403—C402 | 19 (1) |
Ir3—Mo4—C404—C405 | −122 (1) | C41—Mo4—C403—C404 | 135 (1) |
Ir3—Mo4—C405—C401 | −114.0 (9) | C41—Mo4—C404—C403 | −70 (1) |
Ir3—Mo4—C405—C404 | 129 (1) | C41—Mo4—C404—C405 | 47 (1) |
Mo4—Ir1—Ir2—C12 | 172.6 (5) | C41—Mo4—C405—C401 | −32 (1) |
Mo4—Ir1—Ir2—C21 | −137.0 (6) | C41—Mo4—C405—C404 | −149 (1) |
Mo4—Ir1—Ir2—C22 | 91.4 (5) | C401—Mo4—C402—C403 | 117 (1) |
Mo4—Ir1—Ir2—C24 | −11.6 (4) | C401—Mo4—C403—C402 | −37.2 (8) |
Mo4—Ir1—Ir3—C31 | 164.6 (4) | C401—Mo4—C403—C404 | 78 (1) |
Mo4—Ir1—Ir3—C32 | 53 (1) | C401—Mo4—C404—C403 | −80 (1) |
Mo4—Ir1—Ir3—C33 | −95.3 (4) | C401—Mo4—C404—C405 | 37.2 (9) |
Mo4—Ir1—C12—O12 | 175 (2) | C401—Mo4—C405—C404 | −117 (1) |
Mo4—Ir1—C14—O14 | −178 (2) | C401—C402—Mo4—C403 | −117 (1) |
Mo4—Ir2—Ir1—C11 | −89.4 (5) | C401—C402—Mo4—C404 | −79.5 (9) |
Mo4—Ir2—Ir1—C12 | −172.6 (5) | C401—C402—Mo4—C405 | −38.1 (9) |
Mo4—Ir2—Ir1—C14 | 12.1 (4) | C401—C402—C403—C404 | 1 (2) |
Mo4—Ir2—Ir1—C15 | 138.3 (6) | C401—C405—Mo4—C402 | 38.3 (8) |
Mo4—Ir2—Ir3—C31 | −158.6 (4) | C401—C405—Mo4—C403 | 80.2 (9) |
Mo4—Ir2—Ir3—C32 | 102.3 (5) | C401—C405—Mo4—C404 | 117 (1) |
Mo4—Ir2—Ir3—C33 | −36 (1) | C401—C405—C404—C403 | −2 (2) |
Mo4—Ir2—C12—O12 | −175 (2) | C402—Mo4—C401—C405 | −115 (1) |
Mo4—Ir2—C24—O24 | 175 (2) | C402—Mo4—C401—C411 | 121 (2) |
Mo4—Ir3—Ir1—C11 | −10 (1) | C402—Mo4—C403—C404 | 116 (1) |
Mo4—Ir3—Ir1—C12 | −116.0 (4) | C402—Mo4—C404—C403 | −38.0 (9) |
Mo4—Ir3—Ir1—C14 | 50.3 (4) | C402—Mo4—C404—C405 | 79 (1) |
Mo4—Ir3—Ir1—C15 | 145.8 (5) | C402—Mo4—C405—C404 | −78 (1) |
Mo4—Ir3—Ir2—C12 | 116.2 (4) | C402—C401—Mo4—C403 | 37.2 (8) |
Mo4—Ir3—Ir2—C21 | −146.3 (4) | C402—C401—Mo4—C404 | 77.8 (9) |
Mo4—Ir3—Ir2—C22 | 14 (1) | C402—C401—Mo4—C405 | 115 (1) |
Mo4—Ir3—Ir2—C24 | −50.1 (3) | C402—C401—C405—C404 | 2 (2) |
Mo4—C14—Ir1—C11 | 98.9 (5) | C402—C403—Mo4—C404 | −116 (1) |
Mo4—C14—Ir1—C12 | −24 (2) | C402—C403—Mo4—C405 | −78.7 (9) |
Mo4—C14—Ir1—C15 | −161.6 (4) | C402—C403—C404—C405 | 0 (2) |
Mo4—C24—Ir2—C12 | 23 (2) | C403—Mo4—C401—C405 | −77 (1) |
Mo4—C24—Ir2—C21 | 160.0 (5) | C403—Mo4—C401—C411 | 159 (2) |
Mo4—C24—Ir2—C22 | −99.6 (5) | C403—Mo4—C404—C405 | 117 (1) |
Mo4—C401—C402—C403 | −67 (1) | C403—Mo4—C405—C404 | −36.4 (9) |
Mo4—C401—C405—C404 | 65 (1) | C403—C402—Mo4—C404 | 37.0 (9) |
Mo4—C402—C401—C405 | 64.2 (9) | C403—C402—Mo4—C405 | 78 (1) |
Mo4—C402—C401—C411 | −122 (1) | C403—C402—C401—C405 | −2 (2) |
Mo4—C402—C403—C404 | −65 (1) | C403—C402—C401—C411 | 172 (1) |
Mo4—C403—C402—C401 | 66.5 (9) | C403—C404—Mo4—C405 | −117 (1) |
Mo4—C403—C404—C405 | −62 (1) | C404—Mo4—C401—C405 | −36.9 (9) |
Mo4—C404—C403—C402 | 63 (1) | C404—Mo4—C401—C411 | −161 (2) |
Mo4—C404—C405—C401 | −64 (1) | C404—C403—Mo4—C405 | 37 (1) |
Mo4—C405—C401—C402 | −62.8 (9) | C404—C405—C401—C411 | −172 (1) |
Mo4—C405—C401—C411 | 123 (2) | C405—Mo4—C401—C411 | −124 (2) |
Symmetry codes: (i) x+1/2, y, −z+1/2; (ii) x−1/2, y, −z+1/2; (iii) −x+1, y−1/2, −z+1/2; (iv) −x+3/2, y−1/2, z; (v) −x+1/2, y+1/2, z; (vi) −x+1, −y, −z; (vii) x+1/2, −y+1/2, −z; (viii) −x+1/2, y−1/2, z; (ix) x−1/2, −y+1/2, −z; (x) −x+1, −y+1, −z. |
Crystal data top
C20H13Ir3MoO11 | Dx = 2.905 Mg m−3 |
Mr = 1101.92 | Mo Kα radiation, λ = 0.7107 Å |
Orthorhombic, Pbca | Cell parameters from 18 reflections |
a = 11.543 (5) Å | θ = 10.1–14.8° |
b = 17.198 (9) Å | µ = 16.38 mm−1 |
c = 25.382 (6) Å | T = 296 K |
V = 5039 (3) Å3 | Prism, orange |
Z = 8 | 0.40 × 0.20 × 0.20 mm |
F(000) = 3952.00 | |
Data collection top
Rigaku AFC6S diffractometer | 3219 reflections with I > 1.50σ(I) |
Radiation source: X-ray tube | Rint = 0 |
Graphite monochromator | θmax = 25.1°, θmin = 2.1° |
ω–2θ scans | h = 0→13 |
Absorption correction: ψ scan ψ scans (North,Phillips & Matthews, 1968) | k = 0→20 |
Tmin = 0.023, Tmax = 0.048 | l = 0→30 |
4985 measured reflections | 3 standard reflections every 150 reflections |
4459 independent reflections | intensity decay: 8.7% |
Refinement top
Refinement on F | 0 constraints |
Least-squares matrix: full | H-atom parameters not refined |
R[F2 > 2σ(F2)] = 0.038 | Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + 0.00010|Fo|2] |
wR(F2) = 0.034 | (Δ/σ)max = 0.001 |
S = 1.23 | Δρmax = 1.33 e Å−3 |
3219 reflections | Δρmin = −1.21 e Å−3 |
317 parameters | Extinction correction: Zachariasen (1967), equ(3) Acta Cryst.(1968) A24, p213. |
0 restraints | Extinction coefficient: 0.000000162 (3) |
Special details top
Experimental. The scan width was (0.80 + 0.34tanθ)° with an ω scan speed of 4° per minute
(up to 5 scans to achieve I/σ(I) > 10). Stationary background counts were
recorded at each end of the scan, and the scan time:background time ratio was
2:1. A numerical absorption correction is preferable for this crystal, but
this option was not available at the time of data collection. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ir1 | 0.52768 (4) | 0.61179 (3) | 0.06445 (2) | 0.0367 (1) | |
Ir2 | 0.38353 (4) | 0.59776 (3) | 0.14669 (2) | 0.0355 (1) | |
Ir3 | 0.61150 (4) | 0.61989 (3) | 0.16367 (2) | 0.0373 (1) | |
Mo4 | 0.47374 (9) | 0.74842 (6) | 0.12363 (4) | 0.0341 (3) | |
O11 | 0.376 (1) | 0.6343 (7) | −0.0316 (4) | 0.089 (4) | |
O12 | 0.424 (1) | 0.4492 (6) | 0.0830 (4) | 0.073 (4) | |
O14 | 0.6899 (8) | 0.7504 (5) | 0.0475 (4) | 0.056 (3) | |
O15 | 0.7377 (9) | 0.5404 (6) | 0.0134 (4) | 0.072 (4) | |
O21 | 0.3437 (9) | 0.5068 (6) | 0.2474 (4) | 0.078 (4) | |
O22 | 0.1424 (9) | 0.6013 (7) | 0.0997 (4) | 0.088 (4) | |
O24 | 0.3559 (7) | 0.7212 (5) | 0.2346 (3) | 0.047 (3) | |
O31 | 0.652 (1) | 0.4471 (7) | 0.1654 (5) | 0.087 (4) | |
O32 | 0.5898 (9) | 0.6433 (7) | 0.2819 (4) | 0.077 (4) | |
O33 | 0.8587 (9) | 0.6708 (8) | 0.1385 (5) | 0.099 (5) | |
O41 | 0.660 (1) | 0.8168 (6) | 0.1992 (4) | 0.078 (4) | |
C11 | 0.434 (1) | 0.6248 (8) | 0.0034 (6) | 0.052 (5) | |
C12 | 0.437 (1) | 0.5140 (8) | 0.0928 (5) | 0.045 (4) | |
C14 | 0.608 (1) | 0.7249 (7) | 0.0694 (5) | 0.044 (4) | |
C15 | 0.655 (1) | 0.5686 (8) | 0.0306 (5) | 0.051 (5) | |
C21 | 0.356 (1) | 0.5392 (8) | 0.2083 (5) | 0.050 (4) | |
C22 | 0.232 (1) | 0.6000 (9) | 0.1180 (5) | 0.055 (5) | |
C24 | 0.389 (1) | 0.7067 (7) | 0.1928 (5) | 0.041 (4) | |
C31 | 0.634 (1) | 0.5112 (9) | 0.1649 (5) | 0.058 (5) | |
C32 | 0.600 (1) | 0.6371 (7) | 0.2388 (5) | 0.046 (4) | |
C33 | 0.768 (1) | 0.6540 (9) | 0.1477 (6) | 0.062 (5) | |
C41 | 0.593 (1) | 0.7860 (8) | 0.1709 (6) | 0.050 (5) | |
C401 | 0.471 (1) | 0.8776 (8) | 0.0974 (6) | 0.053 (4) | |
C402 | 0.393 (1) | 0.8692 (7) | 0.1416 (6) | 0.054 (4) | |
C403 | 0.301 (1) | 0.8222 (8) | 0.1232 (5) | 0.047 (4) | |
C404 | 0.327 (1) | 0.8001 (8) | 0.0710 (5) | 0.057 (5) | |
C405 | 0.430 (1) | 0.8349 (8) | 0.0545 (5) | 0.049 (4) | |
C411 | 0.574 (1) | 0.9305 (9) | 0.0943 (8) | 0.093 (7) | |
C412 | 0.394 (2) | 0.9126 (8) | 0.1925 (6) | 0.082 (6) | |
C413 | 0.190 (1) | 0.806 (1) | 0.1532 (6) | 0.080 (6) | |
C415 | 0.473 (2) | 0.839 (1) | −0.0005 (6) | 0.089 (6) | |
H404 | 0.2801 | 0.7664 | 0.0502 | 0.068* | |
H411b | 0.5613 | 0.9687 | 0.0679 | 0.111* | |
H411c | 0.5850 | 0.9553 | 0.1274 | 0.111* | |
H411a | 0.6408 | 0.9009 | 0.0858 | 0.111* | |
H412c | 0.3822 | 0.8773 | 0.2208 | 0.099* | |
H412a | 0.4669 | 0.9377 | 0.1967 | 0.099* | |
H412b | 0.3341 | 0.9505 | 0.1924 | 0.099* | |
H413b | 0.1402 | 0.7747 | 0.1322 | 0.096* | |
H413c | 0.2071 | 0.7795 | 0.1851 | 0.096* | |
H413a | 0.1521 | 0.8538 | 0.1610 | 0.096* | |
H415a | 0.5533 | 0.8271 | −0.0011 | 0.107* | |
H415b | 0.4319 | 0.8034 | −0.0218 | 0.107* | |
H415c | 0.4619 | 0.8905 | −0.0137 | 0.107* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ir1 | 0.0396 (3) | 0.0448 (3) | 0.0257 (2) | 0.0032 (3) | 0.0021 (2) | −0.0016 (2) |
Ir2 | 0.0344 (3) | 0.0433 (3) | 0.0288 (3) | −0.0010 (3) | 0.0013 (2) | 0.0029 (2) |
Ir3 | 0.0336 (3) | 0.0475 (3) | 0.0308 (3) | 0.0065 (3) | −0.0032 (2) | 0.0001 (2) |
Mo4 | 0.0350 (6) | 0.0381 (6) | 0.0293 (5) | 0.0019 (5) | 0.0020 (5) | 0.0034 (5) |
O11 | 0.095 (9) | 0.11 (1) | 0.063 (7) | 0.036 (7) | −0.047 (7) | −0.014 (7) |
O12 | 0.12 (1) | 0.039 (6) | 0.063 (7) | −0.005 (6) | 0.017 (7) | −0.012 (5) |
O14 | 0.041 (6) | 0.066 (7) | 0.061 (6) | −0.003 (5) | 0.013 (5) | −0.005 (5) |
O15 | 0.058 (7) | 0.090 (8) | 0.069 (7) | 0.011 (6) | 0.015 (6) | −0.014 (6) |
O21 | 0.072 (8) | 0.097 (9) | 0.064 (7) | 0.005 (6) | 0.009 (6) | 0.033 (7) |
O22 | 0.051 (7) | 0.14 (1) | 0.075 (8) | 0.003 (7) | −0.022 (6) | 0.004 (7) |
O24 | 0.061 (6) | 0.051 (6) | 0.030 (5) | 0.010 (5) | 0.021 (5) | −0.001 (4) |
O31 | 0.089 (9) | 0.063 (8) | 0.11 (1) | 0.022 (7) | −0.004 (8) | 0.018 (7) |
O32 | 0.077 (8) | 0.13 (1) | 0.029 (5) | 0.025 (7) | −0.016 (6) | −0.009 (6) |
O33 | 0.034 (7) | 0.16 (1) | 0.10 (1) | −0.008 (7) | 0.007 (6) | −0.003 (9) |
O41 | 0.085 (8) | 0.063 (7) | 0.087 (8) | −0.004 (6) | −0.029 (7) | −0.018 (6) |
C11 | 0.06 (1) | 0.043 (9) | 0.051 (9) | 0.014 (7) | 0.008 (8) | −0.006 (7) |
C12 | 0.055 (9) | 0.049 (9) | 0.031 (7) | −0.002 (7) | 0.004 (7) | 0.004 (6) |
C14 | 0.046 (8) | 0.051 (9) | 0.036 (7) | −0.006 (7) | 0.002 (7) | 0.003 (6) |
C15 | 0.056 (9) | 0.049 (9) | 0.049 (9) | −0.003 (7) | −0.001 (8) | −0.013 (7) |
C21 | 0.06 (1) | 0.051 (9) | 0.042 (8) | −0.001 (7) | 0.000 (7) | −0.003 (7) |
C22 | 0.048 (9) | 0.08 (1) | 0.037 (8) | 0.001 (8) | −0.001 (7) | 0.000 (7) |
C24 | 0.042 (7) | 0.051 (8) | 0.029 (7) | 0.011 (7) | 0.000 (7) | 0.011 (6) |
C31 | 0.07 (1) | 0.06 (1) | 0.045 (9) | 0.008 (9) | −0.003 (8) | 0.005 (8) |
C32 | 0.043 (8) | 0.056 (9) | 0.039 (8) | 0.007 (7) | −0.016 (7) | −0.007 (6) |
C33 | 0.05 (1) | 0.09 (1) | 0.050 (9) | −0.001 (9) | −0.017 (8) | −0.010 (8) |
C41 | 0.041 (9) | 0.044 (9) | 0.07 (1) | 0.003 (7) | −0.002 (7) | 0.011 (7) |
C401 | 0.051 (9) | 0.042 (9) | 0.07 (1) | 0.011 (7) | 0.014 (8) | 0.019 (7) |
C402 | 0.045 (8) | 0.043 (8) | 0.07 (1) | 0.009 (7) | 0.001 (8) | 0.008 (7) |
C403 | 0.044 (8) | 0.049 (9) | 0.047 (8) | 0.016 (7) | −0.001 (7) | 0.014 (7) |
C404 | 0.06 (1) | 0.06 (1) | 0.046 (9) | 0.005 (8) | 0.001 (8) | 0.031 (8) |
C405 | 0.06 (1) | 0.051 (9) | 0.034 (8) | −0.001 (8) | 0.005 (7) | 0.012 (7) |
C411 | 0.08 (1) | 0.05 (1) | 0.15 (2) | −0.004 (9) | −0.01 (1) | 0.03 (1) |
C412 | 0.13 (2) | 0.05 (1) | 0.07 (1) | 0.01 (1) | 0.03 (1) | −0.022 (8) |
C413 | 0.07 (1) | 0.09 (1) | 0.09 (1) | 0.03 (1) | 0.03 (1) | 0.02 (1) |
C415 | 0.11 (1) | 0.11 (1) | 0.05 (1) | 0.03 (1) | 0.02 (1) | 0.04 (1) |
Geometric parameters (Å, º) top
Ir1—Ir2 | 2.6802 (8) | O21—C21 | 1.15 (1) |
Ir1—Ir3 | 2.7014 (8) | O22—C22 | 1.13 (1) |
Ir2—Ir3 | 2.694 (1) | O24—C24 | 1.15 (1) |
Ir1—Mo4 | 2.858 (1) | O31—C31 | 1.12 (2) |
Ir2—Mo4 | 2.853 (1) | O32—C32 | 1.11 (1) |
Ir3—Mo4 | 2.907 (1) | O33—C33 | 1.11 (2) |
Ir1—C11 | 1.90 (2) | O41—C41 | 1.18 (1) |
Ir1—C12 | 2.11 (1) | C401—C402 | 1.44 (2) |
Ir1—C14 | 2.16 (1) | C401—C405 | 1.40 (2) |
Ir1—C15 | 1.86 (1) | C401—C411 | 1.50 (2) |
Ir2—C12 | 2.08 (1) | C402—C403 | 1.41 (2) |
Ir2—C21 | 1.89 (1) | C402—C412 | 1.49 (2) |
Ir2—C22 | 1.89 (1) | C403—C404 | 1.41 (2) |
Ir2—C24 | 2.21 (1) | C403—C413 | 1.52 (2) |
Ir3—C31 | 1.89 (2) | C404—C405 | 1.40 (2) |
Ir3—C32 | 1.93 (1) | C404—H404 | 0.95 |
Ir3—C33 | 1.94 (2) | C405—C415 | 1.49 (2) |
Mo4—C14 | 2.11 (1) | C411—H411b | 0.95 |
Mo4—C24 | 2.14 (1) | C411—H411c | 0.95 |
Mo4—C41 | 1.94 (1) | C411—H411a | 0.95 |
Mo4—C401 | 2.32 (1) | C412—H412c | 0.95 |
Mo4—C402 | 2.32 (1) | C412—H412a | 0.95 |
Mo4—C403 | 2.36 (1) | C412—H412b | 0.95 |
Mo4—C404 | 2.34 (1) | C413—H413b | 0.95 |
Mo4—C405 | 2.36 (1) | C413—H413c | 0.95 |
O11—C11 | 1.12 (2) | C413—H413a | 0.95 |
O12—C12 | 1.15 (1) | C415—H415a | 0.95 |
O14—C14 | 1.18 (1) | C415—H415b | 0.95 |
O15—C15 | 1.16 (1) | C415—H415c | 0.95 |
| | | |
O11···O14i | 2.96 (1) | O32···C413viii | 3.45 (2) |
O11···O12ii | 3.01 (2) | O32···C21viii | 3.57 (2) |
O11···O15ii | 3.31 (2) | C11···C15ii | 3.59 (2) |
O11···C15ii | 3.51 (2) | C12···C15ii | 3.60 (2) |
O12···C11ii | 3.02 (2) | Ir1···C15 | 1.86 (1) |
O12···C15ii | 3.04 (2) | Ir1···C11 | 1.90 (2) |
O12···O15ii | 3.08 (1) | Ir1···C12 | 2.11 (1) |
O12···C413iii | 3.31 (2) | Ir1···C14 | 2.16 (1) |
O12···C403iii | 3.55 (2) | Ir1···C31 | 3.32 (1) |
O14···C404iv | 3.51 (2) | Ir1···C33 | 3.56 (1) |
O15···C415iv | 3.43 (2) | Ir2···C21 | 1.89 (1) |
O15···C11ii | 3.49 (2) | Ir2···C22 | 1.89 (1) |
O15···C12ii | 3.49 (2) | Ir2···C12 | 2.08 (1) |
O15···C405iv | 3.53 (2) | Ir2···C24 | 2.21 (1) |
O15···C411v | 3.54 (2) | Ir2···C31 | 3.29 (2) |
O21···C31vi | 3.29 (2) | Ir2···C32 | 3.49 (1) |
O21···O31vi | 3.30 (2) | Ir3···C31 | 1.89 (2) |
O21···C412iii | 3.48 (2) | Ir3···C32 | 1.93 (1) |
O21···O41vii | 3.54 (1) | Ir3···C33 | 1.94 (2) |
O22···O32vi | 3.15 (1) | Ir3···C41 | 2.87 (1) |
O22···C415i | 3.35 (2) | Ir3···C14 | 3.00 (1) |
O24···O41vi | 3.26 (1) | Ir3···C24 | 3.06 (1) |
O24···O33vi | 3.34 (1) | Ir3···C12 | 3.26 (1) |
O24···C32vi | 3.36 (2) | Ir3···C21 | 3.45 (1) |
O24···C33vi | 3.36 (2) | Ir3···C15 | 3.53 (1) |
O24···O32vi | 3.38 (1) | Mo4···C41 | 1.94 (1) |
O31···O41v | 3.23 (2) | Mo4···C14 | 2.11 (1) |
O32···C22viii | 3.12 (2) | Mo4···C24 | 2.14 (1) |
O32···O33vi | 3.38 (2) | | |
| | | |
Ir2—Ir1—Ir3 | 60.06 (3) | C24—Mo4—C401 | 123.4 (5) |
Ir2—Ir1—Mo4 | 61.93 (3) | C24—Mo4—C402 | 87.4 (5) |
Ir3—Ir1—Mo4 | 62.97 (3) | C24—Mo4—C403 | 78.3 (4) |
Ir1—Ir2—Ir3 | 60.36 (2) | C24—Mo4—C404 | 105.2 (5) |
Ir1—Ir2—Mo4 | 62.09 (3) | C24—Mo4—C405 | 136.5 (5) |
Ir3—Ir2—Mo4 | 63.12 (3) | C41—Mo4—C401 | 82.5 (5) |
Ir1—Ir3—Ir2 | 59.58 (2) | C41—Mo4—C402 | 82.3 (5) |
Ir1—Ir3—Mo4 | 61.14 (3) | C41—Mo4—C403 | 115.0 (5) |
Ir2—Ir3—Mo4 | 61.12 (3) | C41—Mo4—C404 | 138.1 (5) |
Ir1—Mo4—Ir2 | 55.98 (3) | C41—Mo4—C405 | 113.8 (5) |
Ir1—Mo4—Ir3 | 55.89 (2) | C401—Mo4—C402 | 36.2 (4) |
Ir2—Mo4—Ir3 | 55.75 (3) | C401—Mo4—C403 | 58.0 (5) |
Ir2—Ir1—C11 | 106.9 (4) | C401—Mo4—C404 | 57.4 (5) |
Ir2—Ir1—C12 | 49.7 (4) | C401—Mo4—C405 | 34.7 (5) |
Ir2—Ir1—C14 | 107.7 (3) | C402—Mo4—C403 | 35.0 (4) |
Ir2—Ir1—C15 | 144.6 (4) | C402—Mo4—C404 | 58.6 (5) |
Ir3—Ir1—C11 | 163.0 (4) | C402—Mo4—C405 | 59.6 (5) |
Ir3—Ir1—C12 | 84.3 (3) | C403—Mo4—C404 | 34.9 (4) |
Ir3—Ir1—C14 | 75.2 (3) | C403—Mo4—C405 | 58.3 (4) |
Ir3—Ir1—C15 | 99.7 (4) | C404—Mo4—C405 | 34.7 (4) |
Mo4—Ir1—C11 | 102.0 (4) | Ir1—C11—O11 | 178 (1) |
Mo4—Ir1—C12 | 111.6 (4) | Ir1—C12—Ir2 | 79.6 (5) |
Mo4—Ir1—C14 | 47.4 (3) | Ir1—C12—O12 | 140 (1) |
Mo4—Ir1—C15 | 138.1 (4) | Ir2—C12—O12 | 141 (1) |
C11—Ir1—C12 | 95.1 (5) | Ir1—C14—Mo4 | 83.9 (5) |
C11—Ir1—C14 | 100.8 (5) | Ir1—C14—O14 | 131 (1) |
C11—Ir1—C15 | 96.9 (6) | Mo4—C14—O14 | 145 (1) |
C12—Ir1—C14 | 155.9 (5) | Ir1—C15—O15 | 175 (1) |
C12—Ir1—C15 | 103.4 (6) | Ir2—C21—O21 | 176 (1) |
C14—Ir1—C15 | 92.7 (5) | Ir2—C22—O22 | 179 (1) |
Ir1—Ir2—C12 | 50.6 (4) | Ir2—C24—Mo4 | 82.1 (4) |
Ir1—Ir2—C21 | 142.8 (4) | Ir2—C24—O24 | 131 (1) |
Ir1—Ir2—C22 | 105.7 (4) | Mo4—C24—O24 | 146 (1) |
Ir1—Ir2—C24 | 108.6 (3) | Ir3—C31—O31 | 178 (2) |
Ir3—Ir2—C12 | 85.0 (4) | Ir3—C32—O32 | 176 (1) |
Ir3—Ir2—C21 | 96.0 (4) | Ir3—C33—O33 | 178 (2) |
Ir3—Ir2—C22 | 163.8 (4) | Mo4—C41—O41 | 173 (1) |
Ir3—Ir2—C24 | 76.7 (3) | Mo4—C401—C402 | 72.0 (7) |
Mo4—Ir2—C12 | 112.7 (4) | Mo4—C401—C405 | 74.0 (8) |
Mo4—Ir2—C21 | 135.7 (4) | Mo4—C401—C411 | 126 (1) |
Mo4—Ir2—C22 | 103.9 (4) | C402—C401—C405 | 110 (1) |
Mo4—Ir2—C24 | 47.8 (3) | C402—C401—C411 | 127 (2) |
C12—Ir2—C21 | 103.0 (5) | C405—C401—C411 | 123 (1) |
C12—Ir2—C22 | 92.0 (5) | Mo4—C402—C401 | 71.7 (7) |
C12—Ir2—C24 | 158.0 (5) | Mo4—C402—C403 | 73.9 (7) |
C21—Ir2—C22 | 100.2 (6) | Mo4—C402—C412 | 128 (1) |
C21—Ir2—C24 | 91.0 (5) | C401—C402—C403 | 105 (1) |
C22—Ir2—C24 | 102.2 (5) | C401—C402—C412 | 128 (1) |
Ir1—Ir3—C31 | 90.8 (4) | C403—C402—C412 | 126 (1) |
Ir1—Ir3—C32 | 154.4 (4) | Mo4—C403—C402 | 71.1 (7) |
Ir1—Ir3—C33 | 98.8 (4) | Mo4—C403—C404 | 71.6 (8) |
Ir2—Ir3—C31 | 89.9 (5) | Mo4—C403—C413 | 127.8 (9) |
Ir2—Ir3—C32 | 96.4 (4) | C402—C403—C404 | 108 (1) |
Ir2—Ir3—C33 | 156.6 (4) | C402—C403—C413 | 125 (1) |
Mo4—Ir3—C31 | 146.6 (4) | C404—C403—C413 | 126 (1) |
Mo4—Ir3—C32 | 101.0 (4) | Mo4—C404—C403 | 73.5 (7) |
Mo4—Ir3—C33 | 101.9 (5) | Mo4—C404—C405 | 73.4 (8) |
C31—Ir3—C32 | 98.3 (6) | Mo4—C404—H404 | 119.8 |
C31—Ir3—C33 | 99.9 (6) | C403—C404—C405 | 110 (1) |
C32—Ir3—C33 | 103.0 (6) | C403—C404—H404 | 125.0 |
Ir1—Mo4—C14 | 48.7 (3) | C405—C404—H404 | 125.0 |
Ir1—Mo4—C24 | 104.8 (3) | Mo4—C405—C401 | 71.2 (7) |
Ir1—Mo4—C41 | 116.4 (4) | Mo4—C405—C404 | 71.9 (7) |
Ir1—Mo4—C401 | 129.8 (4) | Mo4—C405—C415 | 131 (1) |
Ir1—Mo4—C402 | 157.8 (4) | C401—C405—C404 | 106 (1) |
Ir1—Mo4—C403 | 128.6 (3) | C401—C405—C415 | 126 (1) |
Ir1—Mo4—C404 | 99.8 (4) | C404—C405—C415 | 126 (1) |
Ir1—Mo4—C405 | 100.1 (3) | C401—C411—H411b | 109.5 |
Ir2—Mo4—C14 | 103.1 (3) | C401—C411—H411c | 109.5 |
Ir2—Mo4—C24 | 50.1 (3) | C401—C411—H411a | 109.5 |
Ir2—Mo4—C41 | 115.8 (4) | H411b—C411—H411c | 109.5 |
Ir2—Mo4—C401 | 157.4 (3) | H411b—C411—H411a | 109.5 |
Ir2—Mo4—C402 | 128.7 (4) | H411c—C411—H411a | 109.5 |
Ir2—Mo4—C403 | 100.5 (3) | C402—C412—H412c | 109.5 |
Ir2—Mo4—C404 | 101.4 (4) | C402—C412—H412a | 109.5 |
Ir2—Mo4—C405 | 130.3 (4) | C402—C412—H412b | 109.5 |
Ir3—Mo4—C14 | 71.3 (3) | H412c—C412—H412a | 109.5 |
Ir3—Mo4—C24 | 73.0 (3) | H412c—C412—H412b | 109.5 |
Ir3—Mo4—C41 | 69.4 (4) | H412a—C412—H412b | 109.5 |
Ir3—Mo4—C401 | 146.9 (4) | C403—C413—H413b | 109.5 |
Ir3—Mo4—C402 | 146.3 (4) | C403—C413—H413c | 109.5 |
Ir3—Mo4—C403 | 150.7 (3) | C403—C413—H413a | 109.5 |
Ir3—Mo4—C404 | 152.5 (4) | H413b—C413—H413c | 109.5 |
Ir3—Mo4—C405 | 149.2 (3) | H413b—C413—H413a | 109.5 |
C14—Mo4—C24 | 143.9 (5) | H413c—C413—H413a | 109.5 |
C14—Mo4—C41 | 86.8 (5) | C405—C415—H415a | 109.5 |
C14—Mo4—C401 | 90.5 (5) | C405—C415—H415b | 109.5 |
C14—Mo4—C402 | 126.5 (5) | C405—C415—H415c | 109.5 |
C14—Mo4—C403 | 136.0 (5) | H415a—C415—H415b | 109.5 |
C14—Mo4—C404 | 103.6 (5) | H415a—C415—H415c | 109.5 |
C14—Mo4—C405 | 78.2 (5) | H415b—C415—H415c | 109.5 |
C24—Mo4—C41 | 86.0 (5) | | |
| | | |
Ir1—Ir2—Ir3—Mo4 | 71.62 (3) | O14—C14—Ir1—C12 | 147 (1) |
Ir1—Ir2—Ir3—C31 | −91.0 (4) | O14—C14—Ir1—C15 | 15 (1) |
Ir1—Ir2—Ir3—C32 | 170.7 (4) | O14—C14—Mo4—C24 | −130 (2) |
Ir1—Ir2—Ir3—C33 | 25 (1) | O14—C14—Mo4—C41 | −51 (2) |
Ir1—Ir2—Mo4—Ir3 | −68.96 (3) | O14—C14—Mo4—C401 | 31 (2) |
Ir1—Ir2—Mo4—C14 | −12.8 (3) | O14—C14—Mo4—C402 | 27 (2) |
Ir1—Ir2—Mo4—C24 | −165.3 (4) | O14—C14—Mo4—C403 | 72 (2) |
Ir1—Ir2—Mo4—C41 | −105.6 (4) | O14—C14—Mo4—C404 | 88 (2) |
Ir1—Ir2—Mo4—C401 | 113 (1) | O14—C14—Mo4—C405 | 64 (2) |
Ir1—Ir2—Mo4—C402 | 153.0 (5) | O24—C24—Ir2—C12 | −148 (1) |
Ir1—Ir2—Mo4—C403 | 129.8 (3) | O24—C24—Ir2—C21 | −18 (1) |
Ir1—Ir2—Mo4—C404 | 94.3 (4) | O24—C24—Ir2—C22 | 83 (1) |
Ir1—Ir2—Mo4—C405 | 72.7 (4) | O24—C24—Mo4—C14 | 130 (2) |
Ir1—Ir2—C12—O12 | −179 (2) | O24—C24—Mo4—C41 | 50 (2) |
Ir1—Ir2—C24—Mo4 | 13.7 (4) | O24—C24—Mo4—C401 | −28 (2) |
Ir1—Ir2—C24—O24 | −166 (1) | O24—C24—Mo4—C402 | −32 (2) |
Ir1—Ir3—Ir2—Mo4 | −71.62 (3) | O24—C24—Mo4—C403 | −66 (2) |
Ir1—Ir3—Ir2—C12 | 47.0 (3) | O24—C24—Mo4—C404 | −88 (2) |
Ir1—Ir3—Ir2—C21 | 149.5 (4) | O24—C24—Mo4—C405 | −71 (2) |
Ir1—Ir3—Ir2—C22 | −33 (2) | C11—Ir1—Ir2—C12 | 82.2 (6) |
Ir1—Ir3—Ir2—C24 | −120.8 (3) | C11—Ir1—Ir2—C21 | 135.3 (8) |
Ir1—Ir3—Mo4—Ir2 | 69.12 (2) | C11—Ir1—Ir2—C22 | 2.8 (6) |
Ir1—Ir3—Mo4—C14 | −52.2 (4) | C11—Ir1—Ir2—C24 | −106.2 (5) |
Ir1—Ir3—Mo4—C24 | 122.0 (4) | C11—Ir1—Ir3—C31 | 132 (2) |
Ir1—Ir3—Mo4—C41 | −145.9 (4) | C11—Ir1—Ir3—C32 | 21 (2) |
Ir1—Ir3—Mo4—C401 | −112.1 (7) | C11—Ir1—Ir3—C33 | −128 (2) |
Ir1—Ir3—Mo4—C402 | 179.1 (6) | C11—Ir1—Mo4—C14 | −93.7 (6) |
Ir1—Ir3—Mo4—C403 | 109.4 (7) | C11—Ir1—Mo4—C24 | 114.6 (5) |
Ir1—Ir3—Mo4—C404 | 31.4 (7) | C11—Ir1—Mo4—C41 | −152.4 (6) |
Ir1—Ir3—Mo4—C405 | −43.7 (7) | C11—Ir1—Mo4—C401 | −49.5 (6) |
Ir1—Mo4—Ir2—Ir3 | 68.96 (3) | C11—Ir1—Mo4—C402 | −7 (1) |
Ir1—Mo4—Ir2—C12 | −2.5 (4) | C11—Ir1—Mo4—C403 | 27.9 (6) |
Ir1—Mo4—Ir2—C21 | 138.4 (6) | C11—Ir1—Mo4—C404 | 5.8 (6) |
Ir1—Mo4—Ir2—C22 | −100.7 (4) | C11—Ir1—Mo4—C405 | −29.4 (6) |
Ir1—Mo4—Ir2—C24 | 165.3 (4) | C12—Ir1—Ir2—C21 | 53.1 (8) |
Ir1—Mo4—Ir3—Ir2 | −69.12 (2) | C12—Ir1—Ir2—C22 | −79.4 (6) |
Ir1—Mo4—Ir3—C31 | −36.2 (8) | C12—Ir1—Ir2—C24 | 171.5 (6) |
Ir1—Mo4—Ir3—C32 | −160.4 (4) | C12—Ir1—Ir3—C31 | 43.2 (6) |
Ir1—Mo4—Ir3—C33 | 93.6 (4) | C12—Ir1—Ir3—C32 | −68 (1) |
Ir1—Mo4—C14—O14 | 179 (2) | C12—Ir1—Ir3—C33 | 143.4 (6) |
Ir1—Mo4—C24—Ir2 | −12.6 (4) | C12—Ir1—Mo4—C14 | 165.8 (6) |
Ir1—Mo4—C24—O24 | 167 (2) | C12—Ir1—Mo4—C24 | 14.1 (5) |
Ir1—Mo4—C401—C402 | 154.4 (7) | C12—Ir1—Mo4—C41 | 107.0 (6) |
Ir1—Mo4—C401—C405 | 37 (1) | C12—Ir1—Mo4—C401 | −150.0 (6) |
Ir1—Mo4—C401—C411 | −83 (2) | C12—Ir1—Mo4—C402 | −108 (1) |
Ir1—Mo4—C402—C401 | −61 (1) | C12—Ir1—Mo4—C403 | −72.6 (5) |
Ir1—Mo4—C402—C403 | 51 (1) | C12—Ir1—Mo4—C404 | −94.7 (5) |
Ir1—Mo4—C402—C412 | 174.2 (9) | C12—Ir1—Mo4—C405 | −129.9 (5) |
Ir1—Mo4—C403—C402 | −157.8 (7) | C12—Ir2—Ir1—C14 | −170.2 (6) |
Ir1—Mo4—C403—C404 | −40 (1) | C12—Ir2—Ir1—C15 | −48.0 (8) |
Ir1—Mo4—C403—C413 | 82 (1) | C12—Ir2—Ir3—C31 | −44.0 (5) |
Ir1—Mo4—C404—C403 | 149.1 (8) | C12—Ir2—Ir3—C32 | −142.4 (5) |
Ir1—Mo4—C404—C405 | −93.5 (8) | C12—Ir2—Ir3—C33 | 72 (1) |
Ir1—Mo4—C405—C401 | −152.3 (7) | C12—Ir2—Mo4—C14 | −15.3 (5) |
Ir1—Mo4—C405—C404 | 92.8 (9) | C12—Ir2—Mo4—C24 | −167.8 (6) |
Ir1—Mo4—C405—C415 | −30 (2) | C12—Ir2—Mo4—C41 | −108.2 (6) |
Ir1—C12—Ir2—Ir3 | −55.2 (3) | C12—Ir2—Mo4—C401 | 110 (1) |
Ir1—C12—Ir2—Mo4 | 2.9 (4) | C12—Ir2—Mo4—C402 | 150.5 (6) |
Ir1—C12—Ir2—C21 | −150.3 (5) | C12—Ir2—Mo4—C403 | 127.3 (5) |
Ir1—C12—Ir2—C22 | 108.8 (5) | C12—Ir2—Mo4—C404 | 91.8 (5) |
Ir1—C12—Ir2—C24 | −22 (1) | C12—Ir2—Mo4—C405 | 70.2 (6) |
Ir1—C14—Mo4—Ir2 | 14.1 (4) | C14—Ir1—Ir2—C21 | −117.1 (8) |
Ir1—C14—Mo4—Ir3 | 60.6 (3) | C14—Ir1—Ir2—C22 | 110.4 (6) |
Ir1—C14—Mo4—C24 | 51.1 (9) | C14—Ir1—Ir2—C24 | 1.3 (5) |
Ir1—C14—Mo4—C41 | 129.9 (5) | C14—Ir1—Ir3—C31 | −149.6 (6) |
Ir1—C14—Mo4—C401 | −147.7 (5) | C14—Ir1—Ir3—C32 | 99 (1) |
Ir1—C14—Mo4—C402 | −152.1 (5) | C14—Ir1—Ir3—C33 | −49.4 (6) |
Ir1—C14—Mo4—C403 | −106.6 (6) | C14—Ir1—Mo4—C24 | −151.7 (6) |
Ir1—C14—Mo4—C404 | −91.2 (5) | C14—Ir1—Mo4—C41 | −58.8 (6) |
Ir1—C14—Mo4—C405 | −114.9 (5) | C14—Ir1—Mo4—C401 | 44.1 (6) |
Ir2—Ir1—Ir3—Mo4 | −71.59 (3) | C14—Ir1—Mo4—C402 | 87 (1) |
Ir2—Ir1—Ir3—C31 | 89.5 (5) | C14—Ir1—Mo4—C403 | 121.6 (6) |
Ir2—Ir1—Ir3—C32 | −21.9 (9) | C14—Ir1—Mo4—C404 | 99.5 (6) |
Ir2—Ir1—Ir3—C33 | −170.4 (5) | C14—Ir1—Mo4—C405 | 64.3 (6) |
Ir2—Ir1—Mo4—Ir3 | 68.72 (3) | C14—Mo4—Ir1—C15 | 21.2 (8) |
Ir2—Ir1—Mo4—C14 | 163.3 (4) | C14—Mo4—Ir2—C21 | 125.7 (7) |
Ir2—Ir1—Mo4—C24 | 11.6 (3) | C14—Mo4—Ir2—C22 | −113.5 (5) |
Ir2—Ir1—Mo4—C41 | 104.6 (4) | C14—Mo4—Ir2—C24 | 152.5 (5) |
Ir2—Ir1—Mo4—C401 | −152.5 (5) | C14—Mo4—Ir3—C31 | −88.4 (9) |
Ir2—Ir1—Mo4—C402 | −110.0 (9) | C14—Mo4—Ir3—C32 | 147.4 (5) |
Ir2—Ir1—Mo4—C403 | −75.0 (4) | C14—Mo4—Ir3—C33 | 41.4 (6) |
Ir2—Ir1—Mo4—C404 | −97.1 (3) | C14—Mo4—C401—C402 | −174.0 (9) |
Ir2—Ir1—Mo4—C405 | −132.3 (4) | C14—Mo4—C401—C405 | 68.2 (9) |
Ir2—Ir1—C12—O12 | 179 (2) | C14—Mo4—C401—C411 | −52 (1) |
Ir2—Ir1—C14—Mo4 | −15.4 (4) | C14—Mo4—C402—C401 | 7 (1) |
Ir2—Ir1—C14—O14 | 165 (1) | C14—Mo4—C402—C403 | 120.3 (8) |
Ir2—Ir3—Ir1—Mo4 | 71.59 (3) | C14—Mo4—C402—C412 | −117 (1) |
Ir2—Ir3—Ir1—C11 | 43 (1) | C14—Mo4—C403—C402 | −91 (1) |
Ir2—Ir3—Ir1—C12 | −46.2 (4) | C14—Mo4—C403—C404 | 27 (1) |
Ir2—Ir3—Ir1—C14 | 120.9 (4) | C14—Mo4—C403—C413 | 149 (1) |
Ir2—Ir3—Ir1—C15 | −148.9 (4) | C14—Mo4—C404—C403 | −161.2 (8) |
Ir2—Ir3—Mo4—C14 | −121.4 (4) | C14—Mo4—C404—C405 | −44 (1) |
Ir2—Ir3—Mo4—C24 | 52.8 (4) | C14—Mo4—C405—C401 | −108.5 (9) |
Ir2—Ir3—Mo4—C41 | 144.9 (4) | C14—Mo4—C405—C404 | 137 (1) |
Ir2—Ir3—Mo4—C401 | 178.7 (7) | C14—Mo4—C405—C415 | 14 (2) |
Ir2—Ir3—Mo4—C402 | 110.0 (6) | C15—Ir1—Ir2—C21 | 5.1 (9) |
Ir2—Ir3—Mo4—C403 | 40.3 (7) | C15—Ir1—Ir2—C22 | −127.4 (8) |
Ir2—Ir3—Mo4—C404 | −37.7 (7) | C15—Ir1—Ir2—C24 | 123.5 (8) |
Ir2—Ir3—Mo4—C405 | −112.8 (7) | C15—Ir1—Ir3—C31 | −59.4 (6) |
Ir2—Mo4—Ir1—Ir3 | −68.72 (3) | C15—Ir1—Ir3—C32 | −171 (1) |
Ir2—Mo4—Ir1—C11 | 103.0 (4) | C15—Ir1—Ir3—C33 | 40.8 (6) |
Ir2—Mo4—Ir1—C12 | 2.5 (4) | C15—Ir1—Mo4—C24 | −130.5 (7) |
Ir2—Mo4—Ir1—C14 | −163.3 (4) | C15—Ir1—Mo4—C41 | −37.6 (8) |
Ir2—Mo4—Ir1—C15 | −142.1 (6) | C15—Ir1—Mo4—C401 | 65.3 (8) |
Ir2—Mo4—Ir3—C31 | 32.9 (8) | C15—Ir1—Mo4—C402 | 108 (1) |
Ir2—Mo4—Ir3—C32 | −91.3 (4) | C15—Ir1—Mo4—C403 | 142.8 (7) |
Ir2—Mo4—Ir3—C33 | 162.7 (4) | C15—Ir1—Mo4—C404 | 120.7 (7) |
Ir2—Mo4—C14—O14 | −167 (2) | C15—Ir1—Mo4—C405 | 85.5 (7) |
Ir2—Mo4—C24—O24 | 179 (2) | C21—Ir2—Ir3—C31 | 58.6 (6) |
Ir2—Mo4—C401—C402 | 58 (2) | C21—Ir2—Ir3—C32 | −39.8 (6) |
Ir2—Mo4—C401—C405 | −59 (1) | C21—Ir2—Ir3—C33 | 174 (1) |
Ir2—Mo4—C401—C411 | −179 (1) | C21—Ir2—Mo4—C24 | −26.8 (7) |
Ir2—Mo4—C402—C401 | −155.2 (7) | C21—Ir2—Mo4—C41 | 32.8 (7) |
Ir2—Mo4—C402—C403 | −42 (1) | C21—Ir2—Mo4—C401 | −109 (1) |
Ir2—Mo4—C402—C412 | 80 (1) | C21—Ir2—Mo4—C402 | −68.6 (7) |
Ir2—Mo4—C403—C402 | 147.6 (8) | C21—Ir2—Mo4—C403 | −91.7 (7) |
Ir2—Mo4—C403—C404 | −94.9 (8) | C21—Ir2—Mo4—C404 | −127.3 (7) |
Ir2—Mo4—C403—C413 | 27 (1) | C21—Ir2—Mo4—C405 | −148.8 (7) |
Ir2—Mo4—C404—C403 | 92.1 (8) | C22—Ir2—Ir3—C31 | −124 (2) |
Ir2—Mo4—C404—C405 | −150.5 (8) | C22—Ir2—Ir3—C32 | 138 (2) |
Ir2—Mo4—C405—C401 | 154.2 (7) | C22—Ir2—Ir3—C33 | −8 (2) |
Ir2—Mo4—C405—C404 | 39 (1) | C22—Ir2—Mo4—C24 | 94.1 (6) |
Ir2—Mo4—C405—C415 | −84 (2) | C22—Ir2—Mo4—C41 | 153.7 (6) |
Ir2—C12—Ir1—Ir3 | 55.1 (3) | C22—Ir2—Mo4—C401 | 12 (1) |
Ir2—C12—Ir1—Mo4 | −2.9 (4) | C22—Ir2—Mo4—C402 | 52.3 (6) |
Ir2—C12—Ir1—C11 | −107.9 (5) | C22—Ir2—Mo4—C403 | 29.2 (5) |
Ir2—C12—Ir1—C14 | 23 (1) | C22—Ir2—Mo4—C404 | −6.4 (5) |
Ir2—C12—Ir1—C15 | 153.7 (5) | C22—Ir2—Mo4—C405 | −27.9 (6) |
Ir2—C24—Mo4—Ir3 | −59.2 (2) | C24—Ir2—Ir3—C31 | 148.2 (5) |
Ir2—C24—Mo4—C14 | −49.8 (9) | C24—Ir2—Ir3—C32 | 49.8 (5) |
Ir2—C24—Mo4—C41 | −128.9 (5) | C24—Ir2—Ir3—C33 | −96 (1) |
Ir2—C24—Mo4—C401 | 152.8 (5) | C24—Ir2—Mo4—C41 | 59.6 (6) |
Ir2—C24—Mo4—C402 | 148.6 (5) | C24—Ir2—Mo4—C401 | −82 (1) |
Ir2—C24—Mo4—C403 | 114.6 (5) | C24—Ir2—Mo4—C402 | −41.8 (6) |
Ir2—C24—Mo4—C404 | 92.2 (5) | C24—Ir2—Mo4—C403 | −64.9 (5) |
Ir2—C24—Mo4—C405 | 110.1 (6) | C24—Ir2—Mo4—C404 | −100.5 (6) |
Ir3—Ir1—Ir2—Mo4 | 73.31 (3) | C24—Ir2—Mo4—C405 | −122.0 (6) |
Ir3—Ir1—Ir2—C12 | −109.7 (5) | C24—Mo4—Ir3—C31 | 85.8 (9) |
Ir3—Ir1—Ir2—C21 | −56.6 (7) | C24—Mo4—Ir3—C32 | −38.5 (5) |
Ir3—Ir1—Ir2—C22 | 170.9 (5) | C24—Mo4—Ir3—C33 | −144.4 (6) |
Ir3—Ir1—Ir2—C24 | 61.8 (3) | C24—Mo4—C401—C402 | −7 (1) |
Ir3—Ir1—Mo4—C14 | 94.6 (4) | C24—Mo4—C401—C405 | −124.9 (8) |
Ir3—Ir1—Mo4—C24 | −57.1 (3) | C24—Mo4—C401—C411 | 115 (1) |
Ir3—Ir1—Mo4—C41 | 35.9 (4) | C24—Mo4—C402—C401 | 174.1 (9) |
Ir3—Ir1—Mo4—C401 | 138.8 (5) | C24—Mo4—C402—C403 | −73.1 (8) |
Ir3—Ir1—Mo4—C402 | −178.7 (9) | C24—Mo4—C402—C412 | 50 (1) |
Ir3—Ir1—Mo4—C403 | −143.8 (4) | C24—Mo4—C403—C402 | 102.5 (9) |
Ir3—Ir1—Mo4—C404 | −165.9 (3) | C24—Mo4—C403—C404 | −140.0 (9) |
Ir3—Ir1—Mo4—C405 | 158.9 (4) | C24—Mo4—C403—C413 | −18 (1) |
Ir3—Ir1—C12—O12 | −126 (2) | C24—Mo4—C404—C403 | 40.7 (9) |
Ir3—Ir1—C14—Mo4 | −66.7 (3) | C24—Mo4—C404—C405 | 158.1 (8) |
Ir3—Ir1—C14—O14 | 114 (1) | C24—Mo4—C405—C401 | 83 (1) |
Ir3—Ir2—Ir1—Mo4 | −73.31 (3) | C24—Mo4—C405—C404 | −32 (1) |
Ir3—Ir2—Ir1—C11 | −168.1 (4) | C24—Mo4—C405—C415 | −154 (1) |
Ir3—Ir2—Ir1—C12 | 109.7 (5) | C31—Ir3—Mo4—C41 | 177.9 (9) |
Ir3—Ir2—Ir1—C14 | −60.5 (4) | C31—Ir3—Mo4—C401 | −148 (1) |
Ir3—Ir2—Ir1—C15 | 61.7 (7) | C31—Ir3—Mo4—C402 | 143 (1) |
Ir3—Ir2—Mo4—C14 | 56.2 (3) | C31—Ir3—Mo4—C403 | 73 (1) |
Ir3—Ir2—Mo4—C24 | −96.3 (4) | C31—Ir3—Mo4—C404 | −5 (1) |
Ir3—Ir2—Mo4—C41 | −36.7 (4) | C31—Ir3—Mo4—C405 | −80 (1) |
Ir3—Ir2—Mo4—C401 | −178 (1) | C32—Ir3—Mo4—C41 | 53.7 (6) |
Ir3—Ir2—Mo4—C402 | −138.1 (5) | C32—Ir3—Mo4—C401 | 87.5 (8) |
Ir3—Ir2—Mo4—C403 | −161.2 (3) | C32—Ir3—Mo4—C402 | 18.7 (8) |
Ir3—Ir2—Mo4—C404 | 163.2 (4) | C32—Ir3—Mo4—C403 | −51.0 (8) |
Ir3—Ir2—Mo4—C405 | 141.7 (4) | C32—Ir3—Mo4—C404 | −129.0 (8) |
Ir3—Ir2—C12—O12 | 126 (2) | C32—Ir3—Mo4—C405 | 155.9 (8) |
Ir3—Ir2—C24—Mo4 | 65.7 (3) | C33—Ir3—Mo4—C41 | −52.3 (6) |
Ir3—Ir2—C24—O24 | −114 (1) | C33—Ir3—Mo4—C401 | −18.5 (8) |
Ir3—Mo4—Ir1—C11 | 171.7 (4) | C33—Ir3—Mo4—C402 | −87.3 (8) |
Ir3—Mo4—Ir1—C12 | 71.2 (4) | C33—Ir3—Mo4—C403 | −156.9 (8) |
Ir3—Mo4—Ir1—C14 | −94.6 (4) | C33—Ir3—Mo4—C404 | 125.0 (8) |
Ir3—Mo4—Ir1—C15 | −73.4 (6) | C33—Ir3—Mo4—C405 | 50.0 (8) |
Ir3—Mo4—Ir2—C12 | −71.5 (4) | C41—Mo4—C401—C402 | −87.3 (9) |
Ir3—Mo4—Ir2—C21 | 69.5 (6) | C41—Mo4—C401—C405 | 154.9 (9) |
Ir3—Mo4—Ir2—C22 | −169.6 (4) | C41—Mo4—C401—C411 | 35 (1) |
Ir3—Mo4—Ir2—C24 | 96.3 (4) | C41—Mo4—C402—C401 | 87.7 (9) |
Ir3—Mo4—C14—O14 | −121 (2) | C41—Mo4—C402—C403 | −159.5 (9) |
Ir3—Mo4—C24—O24 | 120 (2) | C41—Mo4—C402—C412 | −37 (1) |
Ir3—Mo4—C401—C402 | −119.0 (8) | C41—Mo4—C403—C402 | 23 (1) |
Ir3—Mo4—C401—C405 | 123.2 (8) | C41—Mo4—C403—C404 | 140.0 (9) |
Ir3—Mo4—C401—C411 | 4 (2) | C41—Mo4—C403—C413 | −98 (1) |
Ir3—Mo4—C402—C401 | 120.5 (8) | C41—Mo4—C404—C403 | −61 (1) |
Ir3—Mo4—C402—C403 | −126.7 (7) | C41—Mo4—C404—C405 | 57 (1) |
Ir3—Mo4—C402—C412 | −4 (2) | C41—Mo4—C405—C401 | −27 (1) |
Ir3—Mo4—C403—C402 | 114.7 (9) | C41—Mo4—C405—C404 | −142.3 (9) |
Ir3—Mo4—C403—C404 | −127.8 (8) | C41—Mo4—C405—C415 | 95 (2) |
Ir3—Mo4—C403—C413 | −6 (2) | C401—Mo4—C402—C403 | 113 (1) |
Ir3—Mo4—C404—C403 | 123.1 (9) | C401—Mo4—C402—C412 | −124 (2) |
Ir3—Mo4—C404—C405 | −119.5 (8) | C401—Mo4—C403—C402 | −40.0 (8) |
Ir3—Mo4—C405—C401 | −116.8 (8) | C401—Mo4—C403—C404 | 77.5 (9) |
Ir3—Mo4—C405—C404 | 128.3 (8) | C401—Mo4—C403—C413 | −160 (2) |
Ir3—Mo4—C405—C415 | 5 (2) | C401—Mo4—C404—C403 | −79.6 (9) |
Mo4—Ir1—Ir2—C12 | 177.0 (5) | C401—Mo4—C404—C405 | 37.8 (8) |
Mo4—Ir1—Ir2—C21 | −129.9 (7) | C401—Mo4—C405—C404 | −115 (1) |
Mo4—Ir1—Ir2—C22 | 97.6 (5) | C401—Mo4—C405—C415 | 122 (2) |
Mo4—Ir1—Ir2—C24 | −11.5 (3) | C401—C402—Mo4—C403 | −113 (1) |
Mo4—Ir1—Ir3—C31 | 161.0 (5) | C401—C402—Mo4—C404 | −76.3 (9) |
Mo4—Ir1—Ir3—C32 | 49.7 (9) | C401—C402—Mo4—C405 | −35.7 (8) |
Mo4—Ir1—Ir3—C33 | −98.8 (5) | C401—C402—C403—C404 | 3 (1) |
Mo4—Ir1—C12—O12 | 176 (2) | C401—C402—C403—C413 | −171 (1) |
Mo4—Ir1—C14—O14 | −179 (2) | C401—C405—Mo4—C402 | 37.3 (8) |
Mo4—Ir2—Ir1—C11 | −94.8 (4) | C401—C405—Mo4—C403 | 78.3 (9) |
Mo4—Ir2—Ir1—C12 | −177.0 (5) | C401—C405—Mo4—C404 | 115 (1) |
Mo4—Ir2—Ir1—C14 | 12.8 (4) | C401—C405—C404—C403 | 1 (2) |
Mo4—Ir2—Ir1—C15 | 135.0 (7) | C402—Mo4—C401—C405 | −118 (1) |
Mo4—Ir2—Ir3—C31 | −162.6 (4) | C402—Mo4—C401—C411 | 122 (2) |
Mo4—Ir2—Ir3—C32 | 99.0 (4) | C402—Mo4—C403—C404 | 117 (1) |
Mo4—Ir2—Ir3—C33 | −47 (1) | C402—Mo4—C403—C413 | −120 (2) |
Mo4—Ir2—C12—O12 | −176 (2) | C402—Mo4—C404—C403 | −36.5 (8) |
Mo4—Ir2—C24—O24 | −180 (2) | C402—Mo4—C404—C405 | 80.9 (9) |
Mo4—Ir3—Ir1—C11 | −29 (1) | C402—Mo4—C405—C404 | −77.7 (9) |
Mo4—Ir3—Ir1—C12 | −117.8 (4) | C402—Mo4—C405—C415 | 159 (2) |
Mo4—Ir3—Ir1—C14 | 49.3 (4) | C402—C401—Mo4—C403 | 38.5 (8) |
Mo4—Ir3—Ir1—C15 | 139.5 (4) | C402—C401—Mo4—C404 | 80.1 (9) |
Mo4—Ir3—Ir2—C12 | 118.6 (3) | C402—C401—Mo4—C405 | 118 (1) |
Mo4—Ir3—Ir2—C21 | −138.9 (4) | C402—C401—C405—C404 | 0 (2) |
Mo4—Ir3—Ir2—C22 | 39 (2) | C402—C401—C405—C415 | 169 (1) |
Mo4—Ir3—Ir2—C24 | −49.2 (3) | C402—C403—Mo4—C404 | −117 (1) |
Mo4—C14—Ir1—C11 | 96.4 (5) | C402—C403—Mo4—C405 | −81.1 (9) |
Mo4—C14—Ir1—C12 | −34 (1) | C402—C403—C404—C405 | −3 (2) |
Mo4—C14—Ir1—C15 | −166.0 (5) | C403—Mo4—C401—C405 | −79.3 (9) |
Mo4—C24—Ir2—C12 | 31 (1) | C403—Mo4—C401—C411 | 161 (2) |
Mo4—C24—Ir2—C21 | 161.6 (5) | C403—Mo4—C402—C412 | 123 (2) |
Mo4—C24—Ir2—C22 | −97.7 (5) | C403—Mo4—C404—C405 | 117 (1) |
Mo4—C401—C402—C403 | −66.8 (9) | C403—Mo4—C405—C404 | −36.7 (8) |
Mo4—C401—C402—C412 | 124 (2) | C403—Mo4—C405—C415 | −160 (2) |
Mo4—C401—C405—C404 | 63.9 (9) | C403—C402—Mo4—C404 | 36.5 (7) |
Mo4—C401—C405—C415 | −128 (2) | C403—C402—Mo4—C405 | 77.1 (9) |
Mo4—C402—C401—C405 | 65 (1) | C403—C402—C401—C405 | −2 (2) |
Mo4—C402—C401—C411 | −121 (1) | C403—C402—C401—C411 | 172 (1) |
Mo4—C402—C403—C404 | −62.4 (9) | C403—C404—Mo4—C405 | −117 (1) |
Mo4—C402—C403—C413 | 124 (1) | C403—C404—C405—C415 | −167 (1) |
Mo4—C403—C402—C401 | 65.3 (8) | C404—Mo4—C401—C405 | −37.7 (8) |
Mo4—C403—C402—C412 | −125 (1) | C404—Mo4—C401—C411 | −157 (2) |
Mo4—C403—C404—C405 | −65 (1) | C404—Mo4—C402—C412 | 159 (2) |
Mo4—C404—C403—C402 | 62.1 (9) | C404—Mo4—C403—C413 | 122 (2) |
Mo4—C404—C403—C413 | −124 (1) | C404—Mo4—C405—C415 | −123 (2) |
Mo4—C404—C405—C401 | −63.4 (9) | C404—C403—Mo4—C405 | 36.4 (8) |
Mo4—C404—C405—C415 | 128 (2) | C404—C403—C402—C412 | 172 (1) |
Mo4—C405—C401—C402 | −63.5 (9) | C404—C405—C401—C411 | −174 (1) |
Mo4—C405—C401—C411 | 122 (1) | C405—Mo4—C401—C411 | −120 (2) |
Mo4—C405—C404—C403 | 64.9 (9) | C405—Mo4—C402—C412 | −160 (2) |
O12—C12—Ir1—C11 | 71 (2) | C405—Mo4—C403—C413 | 159 (2) |
O12—C12—Ir1—C14 | −157 (2) | C405—C401—C402—C412 | −171 (1) |
O12—C12—Ir1—C15 | −27 (2) | C405—C404—C403—C413 | 171 (1) |
O12—C12—Ir2—C21 | 31 (2) | C411—C401—C402—C412 | 3 (2) |
O12—C12—Ir2—C22 | −70 (2) | C411—C401—C405—C415 | −5 (2) |
O12—C12—Ir2—C24 | 159 (1) | C412—C402—C403—C413 | −2 (2) |
O14—C14—Ir1—C11 | −83 (1) | | |
Symmetry codes: (i) x−1/2, −y+3/2, −z; (ii) −x+1, −y+1, −z; (iii) −x+1/2, y−1/2, z; (iv) x+1/2, −y+3/2, −z; (v) −x+3/2, y−1/2, z; (vi) x−1/2, y, −z+1/2; (vii) −x+1, y−1/2, −z+1/2; (viii) x+1/2, y, −z+1/2. |
Crystal data top
C21H15Ir3MoO11 | F(000) = 1004.00 |
Mr = 1115.94 | Dx = 2.925 Mg m−3 |
Monoclinic, Pn | Mo Kα radiation, λ = 0.7107 Å |
a = 10.922 (3) Å | Cell parameters from 25 reflections |
b = 10.226 (2) Å | θ = 15.2–18.2° |
c = 11.725 (2) Å | µ = 16.29 mm−1 |
β = 104.64 (2)° | T = 296 K |
V = 1267.1 (5) Å3 | Prism, orange |
Z = 2 | 0.20 × 0.20 × 0.20 mm |
Data collection top
Rigaku AFC6S diffractometer | 2326 reflections with I > 1.00σ(I) |
Radiation source: X-ray tube | Rint = 0.065 |
Graphite monochromator | θmax = 25.0°, θmin = 2.3° |
ω–2θ scans | h = 0→13 |
Absorption correction: ψ scan ψ scans (North,Phillips & Matthews, 1968) | k = 0→12 |
Tmin = 0.025, Tmax = 0.038 | l = −13→13 |
2512 measured reflections | 3 standard reflections every 150 reflections |
2372 independent reflections | intensity decay: −0.8% |
Refinement top
Refinement on F | 0 constraints |
Least-squares matrix: full | H-atom parameters not refined |
R[F2 > 2σ(F2)] = 0.019 | Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + 0.00010|Fo|2] |
wR(F2) = 0.022 | (Δ/σ)max = 0.001 |
S = 1.39 | Δρmax = 0.84 e Å−3 |
2326 reflections | Δρmin = −0.95 e Å−3 |
324 parameters | Extinction correction: Zachariasen (1967), equ(3) Acta Cryst.(1968) A24, p213. |
0 restraints | Extinction coefficient: 0.00000042 (2) |
Special details top
Experimental. The scan width was (0.80 + 0.34tanθ)° with an ω scan speed of 2° per minute
(up to 5 scans to achieve I/σ(I) > 10). Stationary background counts were
recorded at each end of the scan, and the scan time:background time ratio was
2:1. A numerical absorption correction is preferable for this crystal, but
this option was not available at the time of data collection. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ir1 | 0.4980 (1) | 0.56012 (4) | 0.3865 (1) | 0.0301 (1) | |
Ir2 | 0.38142 (6) | 0.76948 (4) | 0.26584 (5) | 0.0303 (1) | |
Ir3 | 0.49795 (6) | 0.79320 (4) | 0.49783 (5) | 0.0298 (1) | |
Mo4 | 0.6526 (1) | 0.76395 (9) | 0.33105 (9) | 0.0265 (2) | |
O11 | 0.522 (1) | 0.338 (1) | 0.2216 (9) | 0.074 (4) | |
O12 | 0.2048 (9) | 0.550 (1) | 0.3087 (9) | 0.054 (3) | |
O14 | 0.7760 (9) | 0.5580 (8) | 0.5284 (7) | 0.047 (3) | |
O15 | 0.491 (1) | 0.373 (1) | 0.5855 (9) | 0.071 (4) | |
O21 | 0.173 (1) | 0.962 (1) | 0.270 (1) | 0.067 (4) | |
O22 | 0.306 (1) | 0.731 (1) | 0.0015 (8) | 0.066 (3) | |
O24 | 0.5156 (9) | 1.0310 (8) | 0.2431 (9) | 0.051 (3) | |
O31 | 0.256 (1) | 0.727 (1) | 0.5669 (9) | 0.060 (3) | |
O32 | 0.472 (1) | 1.0908 (9) | 0.505 (1) | 0.091 (5) | |
O33 | 0.688 (1) | 0.736 (1) | 0.732 (1) | 0.082 (4) | |
O41 | 0.787 (1) | 0.951 (1) | 0.5313 (8) | 0.059 (3) | |
C11 | 0.511 (2) | 0.422 (1) | 0.283 (1) | 0.046 (4) | |
C12 | 0.304 (1) | 0.594 (1) | 0.318 (1) | 0.036 (3) | |
C14 | 0.699 (1) | 0.609 (1) | 0.454 (1) | 0.041 (4) | |
C15 | 0.493 (2) | 0.443 (1) | 0.510 (1) | 0.046 (4) | |
C21 | 0.253 (1) | 0.889 (1) | 0.266 (1) | 0.042 (4) | |
C22 | 0.332 (1) | 0.743 (1) | 0.103 (1) | 0.044 (4) | |
C24 | 0.525 (1) | 0.920 (1) | 0.2685 (9) | 0.033 (3) | |
C31 | 0.348 (1) | 0.753 (1) | 0.5391 (9) | 0.043 (4) | |
C32 | 0.484 (2) | 0.980 (1) | 0.501 (1) | 0.052 (4) | |
C33 | 0.618 (2) | 0.755 (1) | 0.646 (1) | 0.045 (4) | |
C41 | 0.729 (1) | 0.877 (1) | 0.463 (1) | 0.039 (3) | |
C401 | 0.860 (1) | 0.755 (1) | 0.316 (1) | 0.033 (3) | |
C402 | 0.799 (1) | 0.867 (1) | 0.251 (1) | 0.037 (3) | |
C403 | 0.702 (1) | 0.819 (1) | 0.153 (1) | 0.042 (4) | |
C404 | 0.702 (1) | 0.683 (1) | 0.157 (1) | 0.038 (3) | |
C405 | 0.799 (1) | 0.643 (1) | 0.258 (1) | 0.036 (3) | |
C411 | 0.976 (1) | 0.756 (1) | 0.410 (1) | 0.058 (5) | |
C412 | 0.842 (1) | 1.007 (1) | 0.272 (1) | 0.052 (4) | |
C413 | 0.631 (2) | 0.901 (2) | 0.052 (1) | 0.062 (5) | |
C414 | 0.628 (1) | 0.594 (1) | 0.063 (1) | 0.056 (4) | |
C415 | 0.844 (1) | 0.504 (1) | 0.286 (1) | 0.053 (4) | |
H411a | 1.0380 | 0.7035 | 0.3872 | 0.069* | |
H411b | 0.9597 | 0.7214 | 0.4797 | 0.069* | |
H411c | 1.0062 | 0.8429 | 0.4234 | 0.069* | |
H412a | 0.9240 | 1.0158 | 0.2583 | 0.062* | |
H412b | 0.8466 | 1.0297 | 0.3518 | 0.062* | |
H412c | 0.7845 | 1.0630 | 0.2208 | 0.062* | |
H413a | 0.6896 | 0.9383 | 0.0130 | 0.075* | |
H413b | 0.5869 | 0.9685 | 0.0796 | 0.075* | |
H413c | 0.5727 | 0.8475 | −0.0025 | 0.075* | |
H414a | 0.5402 | 0.6098 | 0.0518 | 0.067* | |
H414b | 0.6462 | 0.5054 | 0.0859 | 0.067* | |
H414c | 0.6513 | 0.6100 | −0.0086 | 0.067* | |
H415a | 0.7818 | 0.4448 | 0.2447 | 0.064* | |
H415b | 0.8585 | 0.4889 | 0.3688 | 0.064* | |
H415c | 0.9210 | 0.4903 | 0.2638 | 0.064* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ir1 | 0.0376 (2) | 0.0220 (2) | 0.0313 (2) | −0.0008 (2) | 0.0101 (2) | −0.0008 (2) |
Ir2 | 0.0302 (2) | 0.0297 (2) | 0.0295 (2) | 0.0014 (2) | 0.0048 (2) | 0.0006 (2) |
Ir3 | 0.0369 (3) | 0.0260 (2) | 0.0279 (2) | 0.0006 (2) | 0.0109 (2) | −0.0024 (2) |
Mo4 | 0.0275 (5) | 0.0270 (5) | 0.0246 (4) | −0.0004 (4) | 0.0061 (4) | 0.0008 (4) |
O11 | 0.12 (1) | 0.042 (6) | 0.062 (7) | 0.001 (6) | 0.029 (7) | −0.022 (5) |
O12 | 0.035 (6) | 0.055 (6) | 0.073 (7) | −0.016 (5) | 0.013 (5) | −0.002 (5) |
O14 | 0.039 (5) | 0.052 (5) | 0.041 (5) | 0.015 (4) | −0.004 (4) | 0.023 (4) |
O15 | 0.12 (1) | 0.051 (6) | 0.057 (6) | 0.006 (7) | 0.046 (7) | 0.017 (5) |
O21 | 0.072 (8) | 0.060 (7) | 0.072 (7) | 0.025 (6) | 0.026 (6) | 0.007 (5) |
O22 | 0.100 (9) | 0.063 (6) | 0.025 (5) | 0.003 (6) | −0.003 (5) | −0.005 (4) |
O24 | 0.051 (6) | 0.026 (5) | 0.078 (7) | −0.002 (4) | 0.018 (5) | 0.010 (4) |
O31 | 0.052 (6) | 0.083 (8) | 0.053 (6) | −0.014 (6) | 0.030 (5) | −0.006 (5) |
O32 | 0.16 (1) | 0.029 (5) | 0.100 (9) | 0.015 (7) | 0.057 (9) | 0.001 (6) |
O33 | 0.10 (1) | 0.085 (8) | 0.048 (6) | 0.013 (7) | −0.007 (7) | 0.009 (6) |
O41 | 0.061 (7) | 0.064 (7) | 0.047 (5) | −0.025 (6) | 0.005 (5) | −0.026 (5) |
C11 | 0.057 (9) | 0.026 (6) | 0.052 (8) | 0.004 (6) | 0.006 (7) | 0.003 (6) |
C12 | 0.042 (8) | 0.027 (6) | 0.040 (7) | −0.001 (6) | 0.013 (6) | 0.003 (5) |
C14 | 0.038 (8) | 0.039 (7) | 0.046 (7) | 0.009 (6) | 0.010 (6) | −0.005 (6) |
C15 | 0.06 (1) | 0.037 (7) | 0.043 (7) | −0.003 (7) | 0.026 (7) | −0.008 (6) |
C21 | 0.032 (7) | 0.040 (7) | 0.054 (8) | 0.001 (6) | 0.010 (6) | 0.011 (6) |
C22 | 0.028 (7) | 0.031 (6) | 0.07 (1) | 0.002 (5) | 0.001 (6) | −0.002 (6) |
C24 | 0.039 (7) | 0.037 (7) | 0.026 (6) | −0.006 (5) | 0.010 (5) | 0.004 (5) |
C31 | 0.064 (9) | 0.048 (7) | 0.012 (5) | 0.011 (7) | 0.002 (6) | −0.013 (5) |
C32 | 0.07 (1) | 0.041 (8) | 0.049 (8) | −0.004 (7) | 0.013 (7) | −0.013 (7) |
C33 | 0.07 (1) | 0.035 (6) | 0.030 (7) | 0.004 (7) | 0.007 (7) | 0.007 (5) |
C41 | 0.036 (7) | 0.041 (7) | 0.044 (7) | −0.010 (6) | 0.015 (6) | −0.002 (6) |
C401 | 0.029 (7) | 0.038 (6) | 0.033 (6) | 0.000 (5) | 0.011 (5) | 0.006 (5) |
C402 | 0.032 (7) | 0.046 (7) | 0.038 (6) | −0.010 (6) | 0.020 (5) | −0.002 (5) |
C403 | 0.048 (8) | 0.049 (7) | 0.032 (6) | −0.003 (6) | 0.019 (6) | 0.005 (6) |
C404 | 0.037 (7) | 0.053 (7) | 0.026 (6) | 0.002 (6) | 0.013 (5) | 0.007 (5) |
C405 | 0.034 (6) | 0.047 (7) | 0.034 (6) | 0.007 (6) | 0.022 (5) | −0.007 (5) |
C411 | 0.020 (8) | 0.064 (9) | 0.09 (1) | 0.004 (6) | 0.019 (7) | 0.013 (8) |
C412 | 0.050 (8) | 0.045 (8) | 0.068 (9) | −0.007 (6) | 0.027 (7) | 0.019 (7) |
C413 | 0.06 (1) | 0.09 (1) | 0.037 (7) | 0.004 (9) | 0.017 (7) | 0.015 (7) |
C414 | 0.07 (1) | 0.056 (8) | 0.040 (7) | 0.008 (8) | 0.009 (7) | −0.008 (6) |
C415 | 0.058 (9) | 0.047 (8) | 0.061 (9) | 0.020 (7) | 0.027 (7) | −0.007 (7) |
Geometric parameters (Å, º) top
Ir1—Ir2 | 2.7011 (6) | O32—C32 | 1.14 (2) |
Ir1—Ir3 | 2.7172 (6) | O33—C33 | 1.12 (2) |
Ir2—Ir3 | 2.7070 (6) | O41—C41 | 1.16 (1) |
Ir1—Mo4 | 2.860 (1) | C401—C402 | 1.44 (2) |
Ir2—Mo4 | 2.867 (1) | C401—C405 | 1.40 (2) |
Ir3—Mo4 | 2.905 (1) | C401—C411 | 1.46 (2) |
Ir1—C11 | 1.89 (1) | C402—C403 | 1.43 (2) |
Ir1—C12 | 2.10 (1) | C402—C412 | 1.51 (2) |
Ir1—C14 | 2.19 (1) | C403—C404 | 1.40 (2) |
Ir1—C15 | 1.89 (1) | C403—C413 | 1.50 (2) |
Ir2—C12 | 2.13 (1) | C404—C405 | 1.43 (2) |
Ir2—C21 | 1.86 (1) | C404—C414 | 1.50 (2) |
Ir2—C22 | 1.87 (1) | C405—C415 | 1.52 (2) |
Ir2—C24 | 2.19 (1) | C411—H411a | 0.95 |
Ir3—C31 | 1.87 (2) | C411—H411b | 0.95 |
Ir3—C32 | 1.92 (1) | C411—H411c | 0.95 |
Ir3—C33 | 1.93 (1) | C412—H412a | 0.95 |
Mo4—C14 | 2.12 (1) | C412—H412b | 0.95 |
Mo4—C24 | 2.12 (1) | C412—H412c | 0.95 |
Mo4—C41 | 1.95 (1) | C413—H413a | 0.95 |
O11—C11 | 1.15 (2) | C413—H413b | 0.95 |
O12—C12 | 1.16 (1) | C413—H413c | 0.95 |
O14—C14 | 1.17 (1) | C414—H414a | 0.95 |
O15—C15 | 1.14 (2) | C414—H414b | 0.95 |
O21—C21 | 1.15 (2) | C414—H414c | 0.95 |
O22—C22 | 1.15 (2) | C415—H415a | 0.95 |
O24—C24 | 1.17 (1) | C415—H415b | 0.95 |
O31—C31 | 1.16 (2) | C415—H415c | 0.95 |
| | | |
Mo4···C402 | 2.30 (1) | O41···C21viii | 3.31 (2) |
Mo4···C401 | 2.31 (1) | O41···C411 | 3.43 (2) |
Mo4···C403 | 2.35 (1) | O41···C402 | 3.43 (2) |
Mo4···C405 | 2.35 (1) | O41···C401 | 3.47 (2) |
Mo4···C404 | 2.38 (1) | O41···C24viii | 3.55 (1) |
Mo4···C412 | 3.41 (1) | C14···C405 | 2.81 (2) |
Mo4···C411 | 3.42 (1) | C14···C415 | 3.02 (2) |
Mo4···C415 | 3.51 (1) | C14···C401 | 3.07 (2) |
Mo4···C413 | 3.52 (1) | C14···C411 | 3.54 (2) |
Mo4···C414 | 3.54 (1) | C14···C404 | 3.57 (2) |
O11···O24i | 3.15 (1) | C24···C403 | 2.81 (2) |
O11···O14ii | 3.22 (1) | C24···C413 | 3.05 (2) |
O11···O31iii | 3.56 (2) | C24···C402 | 3.09 (2) |
O11···C414 | 3.57 (2) | C24···C404 | 3.54 (2) |
O12···O33ii | 3.05 (2) | C24···C412 | 3.56 (2) |
O12···O15ii | 3.14 (2) | C41···C402 | 2.78 (2) |
O14···O22iv | 2.99 (1) | C41···C401 | 2.80 (2) |
O14···C415 | 3.16 (2) | C41···C412 | 3.11 (2) |
O14···C22iv | 3.22 (1) | C41···C411 | 3.17 (2) |
O14···C405 | 3.36 (1) | Ir1···C11 | 1.89 (1) |
O14···C11iv | 3.42 (2) | Ir1···C15 | 1.89 (1) |
O14···C401 | 3.50 (1) | Ir1···C12 | 2.10 (1) |
O14···C411 | 3.51 (2) | Ir1···C14 | 2.19 (1) |
O15···O32i | 3.02 (1) | Ir1···C31 | 3.36 (1) |
O15···C405v | 3.26 (1) | Ir1···C33 | 3.59 (1) |
O15···C415v | 3.41 (2) | Ir2···C21 | 1.86 (1) |
O15···C404v | 3.51 (2) | Ir2···C22 | 1.87 (1) |
O21···O33vi | 3.13 (2) | Ir2···C12 | 2.13 (1) |
O21···C33vi | 3.23 (2) | Ir2···C24 | 2.19 (1) |
O21···C32vi | 3.36 (2) | Ir2···C31 | 3.32 (1) |
O21···O32vi | 3.36 (2) | Ir2···C32 | 3.46 (1) |
O21···O41vi | 3.46 (1) | Ir3···C31 | 1.87 (2) |
O22···O41vi | 3.29 (1) | Ir3···C32 | 1.92 (1) |
O22···C415ii | 3.58 (2) | Ir3···C33 | 1.93 (1) |
O24···O41vi | 3.05 (1) | Ir3···C41 | 2.79 (1) |
O24···C413 | 3.14 (2) | Ir3···C14 | 3.03 (1) |
O24···C403 | 3.32 (2) | Ir3···C24 | 3.07 (1) |
O24···C402 | 3.50 (2) | Ir3···C12 | 3.29 (1) |
O24···C412 | 3.51 (2) | Ir3···C21 | 3.44 (1) |
O31···C411vii | 3.16 (2) | Ir3···C15 | 3.58 (1) |
O31···C415v | 3.44 (2) | Mo4···C41 | 1.95 (1) |
O31···C414v | 3.56 (2) | Mo4···C14 | 2.12 (1) |
O41···C22viii | 3.24 (2) | Mo4···C24 | 2.12 (1) |
O41···C412 | 3.29 (2) | | |
| | | |
Ir2—Ir1—Ir3 | 59.95 (2) | Ir3—Mo4—C24 | 73.4 (3) |
Ir2—Ir1—Mo4 | 61.99 (3) | Ir3—Mo4—C41 | 67.0 (4) |
Ir3—Ir1—Mo4 | 62.72 (2) | C14—Mo4—C24 | 145.2 (5) |
Ir1—Ir2—Ir3 | 60.32 (2) | C14—Mo4—C41 | 85.6 (5) |
Ir1—Ir2—Mo4 | 61.72 (2) | C24—Mo4—C41 | 86.6 (5) |
Ir3—Ir2—Mo4 | 62.74 (2) | Ir1—C11—O11 | 178 (2) |
Ir1—Ir3—Ir2 | 59.73 (2) | Ir1—C12—Ir2 | 79.4 (5) |
Ir1—Ir3—Mo4 | 61.04 (2) | Ir1—C12—O12 | 143 (1) |
Ir2—Ir3—Mo4 | 61.32 (3) | Ir2—C12—O12 | 137 (1) |
Ir1—Mo4—Ir2 | 56.29 (2) | Ir1—C14—Mo4 | 83.2 (5) |
Ir1—Mo4—Ir3 | 56.24 (2) | Ir1—C14—O14 | 130 (1) |
Ir2—Mo4—Ir3 | 55.94 (2) | Mo4—C14—O14 | 147 (1) |
Ir2—Ir1—C11 | 111.0 (4) | Ir1—C15—O15 | 180 (1) |
Ir2—Ir1—C12 | 50.9 (3) | Ir2—C21—O21 | 178 (1) |
Ir2—Ir1—C14 | 107.8 (3) | Ir2—C22—O22 | 177 (1) |
Ir2—Ir1—C15 | 143.4 (4) | Ir2—C24—Mo4 | 83.3 (4) |
Ir3—Ir1—C11 | 166.6 (4) | Ir2—C24—O24 | 131 (1) |
Ir3—Ir1—C12 | 85.2 (3) | Mo4—C24—O24 | 146 (1) |
Ir3—Ir1—C14 | 75.5 (3) | Ir3—C31—O31 | 178 (1) |
Ir3—Ir1—C15 | 100.5 (4) | Ir3—C32—O32 | 178 (2) |
Mo4—Ir1—C11 | 104.8 (5) | Ir3—C33—O33 | 178 (1) |
Mo4—Ir1—C12 | 112.8 (3) | Mo4—C41—O41 | 169 (1) |
Mo4—Ir1—C14 | 47.3 (4) | C402—C401—C405 | 107 (1) |
Mo4—Ir1—C15 | 140.1 (5) | C402—C401—C411 | 126 (1) |
C11—Ir1—C12 | 96.2 (6) | C405—C401—C411 | 126 (1) |
C11—Ir1—C14 | 99.8 (6) | C401—C402—C403 | 107 (1) |
C11—Ir1—C15 | 92.3 (5) | C401—C402—C412 | 126 (1) |
C12—Ir1—C14 | 157.3 (4) | C403—C402—C412 | 127 (1) |
C12—Ir1—C15 | 100.5 (6) | C402—C403—C404 | 109 (1) |
C14—Ir1—C15 | 94.8 (6) | C402—C403—C413 | 125 (1) |
Ir1—Ir2—C12 | 49.7 (3) | C404—C403—C413 | 125 (1) |
Ir1—Ir2—C21 | 140.7 (4) | C403—C404—C405 | 108 (1) |
Ir1—Ir2—C22 | 113.4 (4) | C403—C404—C414 | 126 (1) |
Ir1—Ir2—C24 | 107.9 (3) | C405—C404—C414 | 126 (1) |
Ir3—Ir2—C12 | 84.7 (3) | C401—C405—C404 | 109 (1) |
Ir3—Ir2—C21 | 95.8 (4) | C401—C405—C415 | 125 (1) |
Ir3—Ir2—C22 | 168.8 (4) | C404—C405—C415 | 125 (1) |
Ir3—Ir2—C24 | 76.7 (3) | C401—C411—H411a | 109.5 |
Mo4—Ir2—C12 | 111.3 (3) | C401—C411—H411b | 109.5 |
Mo4—Ir2—C21 | 137.9 (4) | C401—C411—H411c | 109.5 |
Mo4—Ir2—C22 | 106.3 (4) | H411a—C411—H411b | 109.5 |
Mo4—Ir2—C24 | 47.3 (3) | H411a—C411—H411c | 109.5 |
C12—Ir2—C21 | 101.4 (5) | H411b—C411—H411c | 109.5 |
C12—Ir2—C22 | 97.9 (5) | C402—C412—H412a | 109.5 |
C12—Ir2—C24 | 156.7 (4) | C402—C412—H412b | 109.5 |
C21—Ir2—C22 | 94.3 (6) | C402—C412—H412c | 109.5 |
C21—Ir2—C24 | 94.5 (5) | H412a—C412—H412b | 109.5 |
C22—Ir2—C24 | 97.8 (5) | H412a—C412—H412c | 109.5 |
Ir1—Ir3—C31 | 92.2 (4) | H412b—C412—H412c | 109.5 |
Ir1—Ir3—C32 | 153.3 (4) | C403—C413—H413a | 109.5 |
Ir1—Ir3—C33 | 99.8 (4) | C403—C413—H413b | 109.5 |
Ir2—Ir3—C31 | 91.1 (3) | C403—C413—H413c | 109.5 |
Ir2—Ir3—C32 | 95.2 (4) | H413a—C413—H413b | 109.5 |
Ir2—Ir3—C33 | 157.5 (4) | H413a—C413—H413c | 109.5 |
Mo4—Ir3—C31 | 148.1 (3) | H413b—C413—H413c | 109.5 |
Mo4—Ir3—C32 | 100.3 (5) | C404—C414—H414a | 109.5 |
Mo4—Ir3—C33 | 101.8 (5) | C404—C414—H414b | 109.5 |
C31—Ir3—C32 | 97.7 (6) | C404—C414—H414c | 109.5 |
C31—Ir3—C33 | 99.4 (6) | H414a—C414—H414b | 109.5 |
C32—Ir3—C33 | 102.9 (6) | H414a—C414—H414c | 109.5 |
Ir1—Mo4—C14 | 49.5 (4) | H414b—C414—H414c | 109.5 |
Ir1—Mo4—C24 | 104.7 (3) | C405—C415—H415a | 109.5 |
Ir1—Mo4—C41 | 114.3 (4) | C405—C415—H415b | 109.5 |
Ir2—Mo4—C14 | 104.3 (4) | C405—C415—H415c | 109.5 |
Ir2—Mo4—C24 | 49.5 (3) | H415a—C415—H415b | 109.5 |
Ir2—Mo4—C41 | 114.1 (4) | H415a—C415—H415c | 109.5 |
Ir3—Mo4—C14 | 72.4 (4) | H415b—C415—H415c | 109.5 |
| | | |
Ir1—Ir2—Ir3—Mo4 | 71.35 (3) | Mo4—Ir2—Ir3—C31 | −163.2 (4) |
Ir1—Ir2—Ir3—C31 | −91.8 (4) | Mo4—Ir2—Ir3—C32 | 98.9 (5) |
Ir1—Ir2—Ir3—C32 | 170.3 (5) | Mo4—Ir2—Ir3—C33 | −45 (1) |
Ir1—Ir2—Ir3—C33 | 27 (1) | Mo4—Ir2—C12—O12 | −177 (1) |
Ir1—Ir2—Mo4—Ir3 | −69.19 (2) | Mo4—Ir2—C24—O24 | −180 (1) |
Ir1—Ir2—Mo4—C14 | −12.5 (3) | Mo4—Ir3—Ir1—C11 | −22 (2) |
Ir1—Ir2—Mo4—C24 | −166.3 (4) | Mo4—Ir3—Ir1—C12 | −118.8 (3) |
Ir1—Ir2—Mo4—C41 | −104.1 (4) | Mo4—Ir3—Ir1—C14 | 49.1 (4) |
Ir1—Ir2—C12—O12 | 180 (2) | Mo4—Ir3—Ir1—C15 | 141.4 (5) |
Ir1—Ir2—C24—Mo4 | 12.7 (4) | Mo4—Ir3—Ir2—C12 | 117.3 (3) |
Ir1—Ir2—C24—O24 | −167 (1) | Mo4—Ir3—Ir2—C21 | −141.8 (4) |
Ir1—Ir3—Ir2—Mo4 | −71.35 (3) | Mo4—Ir3—Ir2—C22 | 13 (2) |
Ir1—Ir3—Ir2—C12 | 45.9 (3) | Mo4—Ir3—Ir2—C24 | −48.5 (3) |
Ir1—Ir3—Ir2—C21 | 146.8 (4) | Mo4—C14—Ir1—C11 | 101.1 (5) |
Ir1—Ir3—Ir2—C22 | −58 (2) | Mo4—C14—Ir1—C12 | −33 (2) |
Ir1—Ir3—Ir2—C24 | −119.9 (3) | Mo4—C14—Ir1—C15 | −165.7 (5) |
Ir1—Ir3—Mo4—Ir2 | 69.27 (2) | Mo4—C24—Ir2—C12 | 27 (1) |
Ir1—Ir3—Mo4—C14 | −52.6 (4) | Mo4—C24—Ir2—C21 | 159.9 (5) |
Ir1—Ir3—Mo4—C24 | 121.2 (3) | Mo4—C24—Ir2—C22 | −105.1 (5) |
Ir1—Ir3—Mo4—C41 | −145.3 (4) | O12—C12—Ir1—C11 | 68 (2) |
Ir1—Mo4—Ir2—Ir3 | 69.19 (2) | O12—C12—Ir1—C14 | −157 (1) |
Ir1—Mo4—Ir2—C12 | −2.6 (3) | O12—C12—Ir1—C15 | −25 (2) |
Ir1—Mo4—Ir2—C21 | 135.7 (6) | O12—C12—Ir2—C21 | 30 (2) |
Ir1—Mo4—Ir2—C22 | −108.2 (4) | O12—C12—Ir2—C22 | −66 (2) |
Ir1—Mo4—Ir2—C24 | 166.3 (4) | O12—C12—Ir2—C24 | 162 (1) |
Ir1—Mo4—Ir3—Ir2 | −69.27 (2) | O14—C14—Ir1—C11 | −81 (1) |
Ir1—Mo4—Ir3—C31 | −36.1 (7) | O14—C14—Ir1—C12 | 144 (1) |
Ir1—Mo4—Ir3—C32 | −159.6 (5) | O14—C14—Ir1—C15 | 12 (1) |
Ir1—Mo4—Ir3—C33 | 94.7 (4) | O14—C14—Mo4—C24 | −127 (2) |
Ir1—Mo4—C14—O14 | −177 (2) | O14—C14—Mo4—C41 | −49 (2) |
Ir1—Mo4—C24—Ir2 | −11.8 (3) | O24—C24—Ir2—C12 | −153 (1) |
Ir1—Mo4—C24—O24 | 168 (2) | O24—C24—Ir2—C21 | −20 (1) |
Ir1—Mo4—C41—O41 | 165 (6) | O24—C24—Ir2—C22 | 75 (1) |
Ir1—C12—Ir2—Ir3 | −55.0 (3) | O24—C24—Mo4—C14 | 131 (2) |
Ir1—C12—Ir2—Mo4 | 3.1 (4) | O24—C24—Mo4—C41 | 54 (2) |
Ir1—C12—Ir2—C21 | −149.9 (5) | O41—C41—Mo4—C14 | 123 (7) |
Ir1—C12—Ir2—C22 | 114.1 (5) | O41—C41—Mo4—C24 | −91 (7) |
Ir1—C12—Ir2—C24 | −18 (1) | C11—Ir1—Ir2—C12 | 80.7 (7) |
Ir1—C14—Mo4—Ir2 | 13.7 (4) | C11—Ir1—Ir2—C21 | 131.7 (8) |
Ir1—C14—Mo4—Ir3 | 60.3 (3) | C11—Ir1—Ir2—C22 | 0.5 (7) |
Ir1—C14—Mo4—C24 | 49.8 (9) | C11—Ir1—Ir2—C24 | −106.6 (6) |
Ir1—C14—Mo4—C41 | 127.5 (5) | C11—Ir1—Ir3—C31 | 140 (2) |
Ir2—Ir1—Ir3—Mo4 | −71.81 (3) | C11—Ir1—Ir3—C32 | 28 (3) |
Ir2—Ir1—Ir3—C31 | 90.1 (4) | C11—Ir1—Ir3—C33 | −120 (2) |
Ir2—Ir1—Ir3—C32 | −22 (1) | C11—Ir1—Mo4—C14 | −89.8 (6) |
Ir2—Ir1—Ir3—C33 | −170.0 (5) | C11—Ir1—Mo4—C24 | 117.0 (5) |
Ir2—Ir1—Mo4—Ir3 | 68.66 (2) | C11—Ir1—Mo4—C41 | −150.1 (6) |
Ir2—Ir1—Mo4—C14 | 164.0 (4) | C12—Ir1—Ir2—C21 | 51.0 (8) |
Ir2—Ir1—Mo4—C24 | 10.7 (3) | C12—Ir1—Ir2—C22 | −80.2 (6) |
Ir2—Ir1—Mo4—C41 | 103.7 (4) | C12—Ir1—Ir2—C24 | 172.7 (5) |
Ir2—Ir1—C12—O12 | −180 (2) | C12—Ir1—Ir3—C31 | 43.1 (5) |
Ir2—Ir1—C14—Mo4 | −14.8 (4) | C12—Ir1—Ir3—C32 | −69 (1) |
Ir2—Ir1—C14—O14 | 163 (1) | C12—Ir1—Ir3—C33 | 143.0 (6) |
Ir2—Ir3—Ir1—Mo4 | 71.81 (3) | C12—Ir1—Mo4—C14 | 166.7 (6) |
Ir2—Ir3—Ir1—C11 | 50 (2) | C12—Ir1—Mo4—C24 | 13.5 (5) |
Ir2—Ir3—Ir1—C12 | −47.0 (3) | C12—Ir1—Mo4—C41 | 106.4 (6) |
Ir2—Ir3—Ir1—C14 | 120.9 (4) | C12—Ir2—Ir1—C14 | −170.9 (6) |
Ir2—Ir3—Ir1—C15 | −146.7 (5) | C12—Ir2—Ir1—C15 | −45.4 (8) |
Ir2—Ir3—Mo4—C14 | −121.8 (4) | C12—Ir2—Ir3—C31 | −45.9 (5) |
Ir2—Ir3—Mo4—C24 | 51.9 (3) | C12—Ir2—Ir3—C32 | −143.8 (6) |
Ir2—Ir3—Mo4—C41 | 145.4 (4) | C12—Ir2—Ir3—C33 | 72 (1) |
Ir2—Mo4—Ir1—Ir3 | −68.66 (2) | C12—Ir2—Mo4—C14 | −15.1 (5) |
Ir2—Mo4—Ir1—C11 | 106.2 (4) | C12—Ir2—Mo4—C24 | −168.9 (5) |
Ir2—Mo4—Ir1—C12 | 2.7 (4) | C12—Ir2—Mo4—C41 | −106.8 (5) |
Ir2—Mo4—Ir1—C14 | −164.0 (4) | C14—Ir1—Ir2—C21 | −119.9 (8) |
Ir2—Mo4—Ir1—C15 | −141.5 (6) | C14—Ir1—Ir2—C22 | 108.9 (6) |
Ir2—Mo4—Ir3—C31 | 33.2 (7) | C14—Ir1—Ir2—C24 | 1.8 (5) |
Ir2—Mo4—Ir3—C32 | −90.3 (5) | C14—Ir1—Ir3—C31 | −149.0 (5) |
Ir2—Mo4—Ir3—C33 | 164.0 (4) | C14—Ir1—Ir3—C32 | 99 (1) |
Ir2—Mo4—C14—O14 | −163 (2) | C14—Ir1—Ir3—C33 | −49.1 (6) |
Ir2—Mo4—C24—O24 | 180 (2) | C14—Ir1—Mo4—C24 | −153.2 (5) |
Ir2—Mo4—C41—O41 | −133 (7) | C14—Ir1—Mo4—C41 | −60.3 (6) |
Ir2—C12—Ir1—Ir3 | 54.6 (3) | C14—Mo4—Ir1—C15 | 22.5 (8) |
Ir2—C12—Ir1—Mo4 | −3.1 (4) | C14—Mo4—Ir2—C21 | 123.2 (7) |
Ir2—C12—Ir1—C11 | −112.1 (5) | C14—Mo4—Ir2—C22 | −120.7 (5) |
Ir2—C12—Ir1—C14 | 23 (2) | C14—Mo4—Ir2—C24 | 153.8 (5) |
Ir2—C12—Ir1—C15 | 154.5 (4) | C14—Mo4—Ir3—C31 | −88.6 (8) |
Ir2—C24—Mo4—Ir3 | −59.1 (2) | C14—Mo4—Ir3—C32 | 147.9 (6) |
Ir2—C24—Mo4—C14 | −48.6 (9) | C14—Mo4—Ir3—C33 | 42.2 (5) |
Ir2—C24—Mo4—C41 | −126.0 (4) | C15—Ir1—Ir2—C21 | 6 (1) |
Ir3—Ir1—Ir2—Mo4 | 73.02 (3) | C15—Ir1—Ir2—C22 | −125.6 (8) |
Ir3—Ir1—Ir2—C12 | −110.2 (4) | C15—Ir1—Ir2—C24 | 127.3 (7) |
Ir3—Ir1—Ir2—C21 | −59.2 (7) | C15—Ir1—Ir3—C31 | −56.7 (6) |
Ir3—Ir1—Ir2—C22 | 169.6 (4) | C15—Ir1—Ir3—C32 | −169 (1) |
Ir3—Ir1—Ir2—C24 | 62.5 (3) | C15—Ir1—Ir3—C33 | 43.2 (7) |
Ir3—Ir1—Mo4—C14 | 95.3 (4) | C15—Ir1—Mo4—C24 | −130.7 (7) |
Ir3—Ir1—Mo4—C24 | −57.9 (3) | C15—Ir1—Mo4—C41 | −37.8 (8) |
Ir3—Ir1—Mo4—C41 | 35.1 (4) | C21—Ir2—Ir3—C31 | 55.0 (6) |
Ir3—Ir1—C12—O12 | −125 (2) | C21—Ir2—Ir3—C32 | −42.9 (6) |
Ir3—Ir1—C14—Mo4 | −66.1 (3) | C21—Ir2—Ir3—C33 | 173 (1) |
Ir3—Ir1—C14—O14 | 112 (1) | C21—Ir2—Mo4—C24 | −30.6 (7) |
Ir3—Ir2—Ir1—Mo4 | −73.02 (3) | C21—Ir2—Mo4—C41 | 31.5 (7) |
Ir3—Ir2—Ir1—C11 | −169.1 (5) | C22—Ir2—Ir3—C31 | −150 (2) |
Ir3—Ir2—Ir1—C12 | 110.2 (4) | C22—Ir2—Ir3—C32 | 112 (2) |
Ir3—Ir2—Ir1—C14 | −60.7 (4) | C22—Ir2—Ir3—C33 | −32 (2) |
Ir3—Ir2—Ir1—C15 | 64.8 (7) | C22—Ir2—Mo4—C24 | 85.5 (5) |
Ir3—Ir2—Mo4—C14 | 56.7 (3) | C22—Ir2—Mo4—C41 | 147.7 (6) |
Ir3—Ir2—Mo4—C24 | −97.1 (4) | C24—Ir2—Ir3—C31 | 148.3 (5) |
Ir3—Ir2—Mo4—C41 | −34.9 (4) | C24—Ir2—Ir3—C32 | 50.4 (6) |
Ir3—Ir2—C12—O12 | 125 (2) | C24—Ir2—Ir3—C33 | −93 (1) |
Ir3—Ir2—C24—Mo4 | 65.0 (2) | C24—Ir2—Mo4—C41 | 62.2 (5) |
Ir3—Ir2—C24—O24 | −115 (1) | C24—Mo4—Ir3—C31 | 85.1 (8) |
Ir3—Mo4—Ir1—C11 | 174.9 (4) | C24—Mo4—Ir3—C32 | −38.4 (5) |
Ir3—Mo4—Ir1—C12 | 71.4 (4) | C24—Mo4—Ir3—C33 | −144.1 (5) |
Ir3—Mo4—Ir1—C14 | −95.3 (4) | C31—Ir3—Mo4—C41 | 178.6 (8) |
Ir3—Mo4—Ir1—C15 | −72.8 (6) | C32—Ir3—Mo4—C41 | 55.1 (6) |
Ir3—Mo4—Ir2—C12 | −71.8 (3) | C33—Ir3—Mo4—C41 | −50.6 (6) |
Ir3—Mo4—Ir2—C21 | 66.5 (6) | C401—C402—C403—C404 | 0 (1) |
Ir3—Mo4—Ir2—C22 | −177.4 (4) | C401—C402—C403—C413 | −168 (1) |
Ir3—Mo4—Ir2—C24 | 97.1 (4) | C401—C405—C404—C403 | 0 (1) |
Ir3—Mo4—C14—O14 | −117 (2) | C401—C405—C404—C414 | 171 (1) |
Ir3—Mo4—C24—O24 | 121 (2) | C402—C401—C405—C404 | 0 (1) |
Ir3—Mo4—C41—O41 | −164 (7) | C402—C401—C405—C415 | 171 (1) |
Mo4—Ir1—Ir2—C12 | 176.8 (4) | C402—C403—C404—C405 | 0 (1) |
Mo4—Ir1—Ir2—C21 | −132.2 (7) | C402—C403—C404—C414 | −171 (1) |
Mo4—Ir1—Ir2—C22 | 96.6 (4) | C403—C402—C401—C405 | 0 (1) |
Mo4—Ir1—Ir2—C24 | −10.5 (3) | C403—C402—C401—C411 | 170 (1) |
Mo4—Ir1—Ir3—C31 | 161.9 (4) | C403—C404—C405—C415 | −171 (1) |
Mo4—Ir1—Ir3—C32 | 50 (1) | C404—C403—C402—C412 | 172 (1) |
Mo4—Ir1—Ir3—C33 | −98.2 (5) | C404—C405—C401—C411 | −169 (1) |
Mo4—Ir1—C12—O12 | 177 (2) | C405—C401—C402—C412 | −172 (1) |
Mo4—Ir1—C14—O14 | 178 (2) | C411—C401—C402—C412 | −3 (2) |
Mo4—Ir2—Ir1—C11 | −96.1 (5) | C411—C401—C405—C415 | 2 (2) |
Mo4—Ir2—Ir1—C12 | −176.8 (4) | C412—C402—C403—C413 | 4 (2) |
Mo4—Ir2—Ir1—C14 | 12.3 (4) | C413—C403—C404—C414 | −3 (2) |
Mo4—Ir2—Ir1—C15 | 137.9 (7) | C414—C404—C405—C415 | 0 (2) |
Symmetry codes: (i) x, y−1, z; (ii) x−1/2, −y+1, z−1/2; (iii) x+1/2, −y+1, z−1/2; (iv) x+1/2, −y+1, z+1/2; (v) x−1/2, −y+1, z+1/2; (vi) x−1/2, −y+2, z−1/2; (vii) x−1, y, z; (viii) x+1/2, −y+2, z+1/2. |
A comparison of selected geometry (Å, °) top | (I) | (II) | (III) |
Ir1-Ir2 | 2.7061 (8) | 2.6802 (8) | 2.7011 (6) |
Ir1-Ir3 | 2.6993 (6) | 2.7014 (8) | 2.7172 (6) |
Ir2-Ir3 | 2.692 (1) | 2.694 (1) | 2.7070 (6) |
Ir1-Mo4 | 2.832 (1) | 2.858 (1) | 2.860 (1) |
Ir2-Mo4 | 2.837 (1) | 2.853 (1) | 2.867 (1) |
Ir3-Mo4 | 2.897 (1) | 2.907 (1) | 2.905 (1) |
Ir1-C11 | 1.93 (1) | 1.90 (2) | 1.89 (1) |
Ir1-C12 | 2.13 (1) | 2.11 (1) | 2.10 (1) |
Ir1-C14 | 2.20 (1) | 2.16 (1) | 2.19 (1) |
Ir1-C15 | 1.91 (1) | 1.86 (1) | 1.89 (1) |
Ir2-C12 | 2.11 (1) | 2.08 (1) | 2.13 (1) |
Ir2-C21 | 1.88 (1) | 1.89 (1) | 1.86 (1) |
Ir2-C22 | 1.88 (1) | 1.89 (1) | 1.87 (1) |
Ir2-C24 | 2.15 (1) | 2.21 (1) | 2.19 (1) |
Ir3-C31 | 1.90 (1) | 1.89 (2) | 1.87 (2) |
Ir3-C32 | 1.93 (1) | 1.93 (1) | 1.92 (1) |
Ir3-C33 | 1.95 (1) | 1.94 (2) | 1.93 (1) |
Ir3···C41 | 2.82 (1) | 2.87 (1) | 2.79 (1) |
Mo4-C14 | 2.17 (1) | 2.11 (1) | 2.12 (1) |
Mo4-C24 | 2.16 (1) | 2.14 (1) | 2.12 (1) |
Mo4-C41 | 1.95 (1) | 1.94 (1) | 1.95 (1) |
Ir2-Ir1-Ir3 | 60.06 (3) | 59.73 (2) | 59.95 (2) |
Ir2-Ir1-Mo4 | 61.93 (3) | 61.58 (3) | 61.99 (3) |
Ir3-Ir1-Mo4 | 62.97 (3) | 63.12 (3) | 62.72 (2) |
Ir1-Ir2-Ir3 | 60.36 (2) | 60.01 (2) | 60.32 (2) |
Ir1-Ir2-Mo4 | 62.09 (3) | 61.40 (3) | 61.72 (2) |
Ir3-Ir2-Mo4 | 63.12 (3) | 63.14 (3) | 62.74 (2) |
Ir1-Ir3-Ir2 | 59.58 (2) | 60.26 (2) | 59.73 (2) |
Ir1-Ir3-Mo4 | 61.14 (3) | 60.68 (2) | 61.04 (2) |
Ir2-Ir3-Mo4 | 61.12 (3) | 60.88 (3) | 61.32 (3) |
Ir1-Mo4-Ir2 | 55.98 (3) | 57.02 (3) | 56.29 (2) |
Ir1-Mo4-Ir3 | 55.89 (2) | 56.20 (2) | 56.24 (2) |
Ir2-Mo4-Ir3 | 55.75 (3) | 55.98 (3) | 55.94 (2) |