Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806017430/rn6079sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806017430/rn6079Isup2.hkl |
CCDC reference: 610869
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.
[Os(C12F10N3)2(CO)3] | F(000) = 1936 |
Mr = 1026.53 | Dx = 2.243 Mg m−3 |
Orthorhombic, P212121 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2ac 2ab | Cell parameters from 3891 reflections |
a = 12.4352 (7) Å | θ = 1.9–27.5° |
b = 14.7412 (8) Å | µ = 4.36 mm−1 |
c = 16.5795 (9) Å | T = 223 K |
V = 3039.2 (3) Å3 | Block, yellow |
Z = 4 | 0.20 × 0.15 × 0.10 mm |
Bruker AXS SMART CCD diffractometer | 6961 independent reflections |
Radiation source: fine-focus sealed tube | 6717 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.027 |
φ and ω scans | θmax = 27.5°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1998) | h = −14→16 |
Tmin = 0.462, Tmax = 0.648 | k = −19→14 |
21297 measured reflections | l = −21→21 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.022 | w = 1/[σ2(Fo2) + (0.0328P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.065 | (Δ/σ)max = 0.002 |
S = 1.10 | Δρmax = 1.03 e Å−3 |
6961 reflections | Δρmin = −0.55 e Å−3 |
514 parameters | Absolute structure: Flack (1983) |
0 restraints | Absolute structure parameter: −0.002 (5) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Os1 | 0.788498 (11) | 0.283724 (10) | 0.851392 (8) | 0.02578 (5) | |
F45 | 0.7155 (3) | 0.2774 (2) | 0.60450 (18) | 0.0634 (9) | |
F44 | 0.8494 (5) | 0.2384 (3) | 0.4803 (2) | 0.0951 (15) | |
F43 | 1.0071 (4) | 0.1128 (4) | 0.4985 (3) | 0.116 (2) | |
F42 | 1.0304 (3) | 0.0263 (3) | 0.6426 (3) | 0.0899 (14) | |
F41 | 0.9049 (3) | 0.0699 (2) | 0.7670 (2) | 0.0530 (8) | |
F35 | 0.4796 (2) | 0.1363 (2) | 0.64233 (19) | 0.0532 (7) | |
F34 | 0.2721 (3) | 0.0977 (3) | 0.63251 (19) | 0.0618 (9) | |
F33 | 0.1408 (2) | 0.1194 (2) | 0.7621 (2) | 0.0575 (8) | |
F32 | 0.2240 (2) | 0.1787 (2) | 0.90412 (18) | 0.0506 (7) | |
F31 | 0.4341 (2) | 0.2118 (2) | 0.91791 (15) | 0.0424 (6) | |
F21 | 1.0444 (2) | 0.3158 (2) | 0.79188 (19) | 0.0507 (7) | |
F22 | 1.2057 (3) | 0.3228 (2) | 0.6861 (2) | 0.0649 (9) | |
F23 | 1.1762 (3) | 0.4016 (3) | 0.5384 (2) | 0.0749 (11) | |
F24 | 0.9801 (3) | 0.4678 (2) | 0.49993 (18) | 0.0626 (9) | |
F25 | 0.8175 (2) | 0.4608 (2) | 0.60188 (18) | 0.0524 (8) | |
F15 | 0.5707 (2) | 0.4445 (2) | 0.65793 (18) | 0.0502 (7) | |
F14 | 0.3605 (3) | 0.4824 (2) | 0.6661 (2) | 0.0634 (9) | |
F13 | 0.2510 (2) | 0.4611 (3) | 0.8070 (3) | 0.0658 (10) | |
F12 | 0.3550 (2) | 0.4052 (2) | 0.9411 (2) | 0.0577 (8) | |
F11 | 0.5683 (2) | 0.36965 (19) | 0.93483 (17) | 0.0404 (6) | |
O1 | 0.6580 (3) | 0.1765 (3) | 0.9743 (2) | 0.0470 (9) | |
O2 | 0.8440 (3) | 0.4283 (3) | 0.9766 (2) | 0.0533 (10) | |
O3 | 0.9791 (3) | 0.1689 (3) | 0.9038 (2) | 0.0506 (9) | |
N1' | 0.7404 (3) | 0.1983 (2) | 0.7556 (2) | 0.0292 (8) | |
N2' | 0.6398 (3) | 0.1736 (2) | 0.7410 (2) | 0.0293 (7) | |
N3' | 0.5743 (3) | 0.1986 (2) | 0.7959 (2) | 0.0292 (8) | |
N3 | 0.8408 (3) | 0.3724 (2) | 0.7572 (2) | 0.0285 (7) | |
N2 | 0.7491 (3) | 0.4142 (2) | 0.7441 (2) | 0.0286 (7) | |
N1 | 0.6845 (3) | 0.3801 (2) | 0.7984 (2) | 0.0284 (7) | |
C1 | 0.7033 (3) | 0.2162 (3) | 0.9275 (2) | 0.0334 (8) | |
C2 | 0.8255 (4) | 0.3735 (3) | 0.9318 (3) | 0.0361 (10) | |
C3 | 0.9082 (3) | 0.2102 (3) | 0.8828 (2) | 0.0344 (9) | |
C45 | 0.7950 (5) | 0.2165 (3) | 0.6147 (3) | 0.0450 (10) | |
C44 | 0.8633 (6) | 0.1967 (4) | 0.5510 (3) | 0.0652 (18) | |
C43 | 0.9428 (5) | 0.1331 (5) | 0.5620 (4) | 0.0660 (18) | |
C42 | 0.9561 (4) | 0.0912 (5) | 0.6336 (4) | 0.0593 (17) | |
C41 | 0.8920 (4) | 0.1133 (4) | 0.6989 (3) | 0.0433 (12) | |
C46 | 0.8073 (4) | 0.1766 (3) | 0.6886 (3) | 0.0346 (10) | |
C36 | 0.4669 (3) | 0.1745 (3) | 0.7814 (3) | 0.0282 (8) | |
C35 | 0.4211 (4) | 0.1464 (3) | 0.7087 (3) | 0.0344 (9) | |
C34 | 0.3128 (4) | 0.1264 (3) | 0.7034 (3) | 0.0394 (10) | |
C33 | 0.2466 (4) | 0.1374 (3) | 0.7680 (3) | 0.0385 (10) | |
C32 | 0.2876 (4) | 0.1671 (3) | 0.8406 (3) | 0.0351 (9) | |
C31 | 0.3964 (3) | 0.1845 (3) | 0.8456 (3) | 0.0315 (8) | |
C21 | 1.0256 (4) | 0.3538 (3) | 0.7200 (3) | 0.0373 (10) | |
C22 | 1.1106 (4) | 0.3572 (3) | 0.6663 (3) | 0.0435 (12) | |
C23 | 1.0952 (5) | 0.3958 (3) | 0.5913 (3) | 0.0466 (12) | |
C24 | 0.9972 (5) | 0.4310 (3) | 0.5725 (3) | 0.0424 (11) | |
C25 | 0.9119 (4) | 0.4268 (3) | 0.6254 (3) | 0.0372 (10) | |
C26 | 0.9241 (3) | 0.3863 (3) | 0.7015 (3) | 0.0286 (8) | |
C16 | 0.5761 (3) | 0.4062 (3) | 0.7968 (3) | 0.0296 (9) | |
C15 | 0.5204 (4) | 0.4357 (3) | 0.7291 (3) | 0.0375 (10) | |
C14 | 0.4112 (4) | 0.4539 (3) | 0.7325 (3) | 0.0434 (11) | |
C13 | 0.3560 (4) | 0.4435 (3) | 0.8044 (4) | 0.0446 (12) | |
C12 | 0.4094 (4) | 0.4148 (3) | 0.8711 (3) | 0.0401 (11) | |
C11 | 0.5174 (4) | 0.3976 (3) | 0.8684 (3) | 0.0326 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Os1 | 0.02053 (7) | 0.03289 (8) | 0.02391 (7) | −0.00054 (6) | 0.00029 (6) | 0.00423 (6) |
F45 | 0.100 (3) | 0.0503 (17) | 0.0400 (16) | 0.002 (2) | −0.0059 (17) | 0.0088 (13) |
F44 | 0.140 (4) | 0.105 (3) | 0.0403 (19) | −0.027 (3) | 0.026 (2) | 0.004 (2) |
F43 | 0.091 (3) | 0.177 (5) | 0.080 (3) | −0.013 (3) | 0.048 (3) | −0.056 (3) |
F42 | 0.053 (2) | 0.119 (3) | 0.098 (3) | 0.038 (2) | −0.005 (2) | −0.055 (3) |
F41 | 0.0436 (17) | 0.0507 (17) | 0.065 (2) | 0.0127 (13) | −0.0141 (15) | −0.0108 (15) |
F35 | 0.0376 (15) | 0.087 (2) | 0.0353 (14) | −0.0013 (14) | 0.0025 (13) | −0.0159 (16) |
F34 | 0.043 (2) | 0.094 (3) | 0.0491 (18) | −0.0100 (17) | −0.0121 (14) | −0.0194 (16) |
F33 | 0.0239 (14) | 0.084 (2) | 0.065 (2) | −0.0089 (14) | −0.0056 (14) | −0.0079 (17) |
F32 | 0.0267 (15) | 0.077 (2) | 0.0477 (16) | 0.0004 (13) | 0.0091 (12) | −0.0044 (14) |
F31 | 0.0328 (13) | 0.0619 (17) | 0.0324 (12) | −0.0106 (14) | 0.0019 (10) | −0.0052 (13) |
F21 | 0.0287 (14) | 0.0711 (19) | 0.0523 (17) | 0.0047 (12) | 0.0057 (12) | 0.0247 (14) |
F22 | 0.0346 (16) | 0.068 (2) | 0.092 (2) | 0.0102 (15) | 0.0251 (18) | 0.0241 (18) |
F23 | 0.071 (2) | 0.074 (2) | 0.080 (3) | 0.0099 (18) | 0.049 (2) | 0.0149 (19) |
F24 | 0.086 (3) | 0.069 (2) | 0.0330 (16) | 0.0036 (19) | 0.0200 (16) | 0.0171 (15) |
F25 | 0.0449 (18) | 0.074 (2) | 0.0383 (15) | 0.0034 (14) | 0.0006 (12) | 0.0211 (14) |
F15 | 0.0471 (17) | 0.0665 (19) | 0.0368 (16) | 0.0092 (14) | −0.0054 (14) | 0.0078 (14) |
F14 | 0.0488 (19) | 0.070 (2) | 0.072 (2) | 0.0123 (16) | −0.0263 (17) | 0.0063 (17) |
F13 | 0.0260 (15) | 0.076 (2) | 0.095 (3) | 0.0161 (14) | −0.0028 (16) | −0.003 (2) |
F12 | 0.0374 (16) | 0.069 (2) | 0.067 (2) | 0.0064 (14) | 0.0225 (16) | −0.0007 (17) |
F11 | 0.0364 (15) | 0.0508 (16) | 0.0340 (14) | 0.0075 (12) | 0.0054 (11) | 0.0019 (12) |
O1 | 0.040 (2) | 0.064 (2) | 0.0375 (18) | −0.0065 (16) | 0.0018 (15) | 0.0157 (16) |
O2 | 0.068 (3) | 0.053 (2) | 0.0391 (19) | −0.0171 (19) | 0.0017 (18) | −0.0043 (17) |
O3 | 0.0349 (19) | 0.074 (3) | 0.043 (2) | 0.0145 (18) | −0.0038 (15) | 0.0155 (18) |
N1' | 0.0241 (17) | 0.0307 (19) | 0.0330 (18) | 0.0001 (12) | 0.0016 (14) | −0.0008 (14) |
N2' | 0.0248 (17) | 0.0283 (16) | 0.0347 (18) | −0.0006 (14) | 0.0020 (15) | −0.0029 (14) |
N3' | 0.0245 (18) | 0.0310 (19) | 0.0321 (18) | −0.0014 (13) | 0.0020 (14) | 0.0008 (14) |
N3 | 0.0253 (18) | 0.0311 (18) | 0.0290 (18) | −0.0001 (13) | −0.0004 (14) | 0.0025 (14) |
N2 | 0.0280 (17) | 0.0291 (17) | 0.0288 (17) | −0.0024 (13) | 0.0006 (13) | 0.0009 (14) |
N1 | 0.0267 (18) | 0.0292 (16) | 0.0294 (17) | 0.0021 (13) | 0.0007 (13) | 0.0010 (13) |
C1 | 0.0260 (19) | 0.042 (2) | 0.032 (2) | −0.001 (2) | 0.0020 (16) | 0.0050 (18) |
C2 | 0.034 (2) | 0.045 (3) | 0.030 (2) | −0.0098 (18) | 0.0014 (17) | 0.0006 (19) |
C3 | 0.025 (2) | 0.050 (2) | 0.0283 (19) | 0.000 (2) | −0.0009 (15) | 0.005 (2) |
C45 | 0.059 (3) | 0.038 (2) | 0.039 (2) | −0.009 (3) | 0.007 (2) | −0.0034 (19) |
C44 | 0.090 (5) | 0.068 (4) | 0.037 (3) | −0.032 (4) | 0.015 (3) | −0.006 (3) |
C43 | 0.050 (3) | 0.090 (5) | 0.058 (4) | −0.007 (3) | 0.026 (3) | −0.027 (3) |
C42 | 0.034 (3) | 0.077 (4) | 0.067 (4) | 0.002 (2) | 0.008 (3) | −0.036 (3) |
C41 | 0.032 (3) | 0.048 (3) | 0.050 (3) | −0.006 (2) | 0.008 (2) | −0.018 (2) |
C46 | 0.033 (3) | 0.035 (2) | 0.036 (2) | −0.0072 (17) | 0.0094 (18) | −0.0097 (17) |
C36 | 0.026 (2) | 0.0232 (18) | 0.035 (2) | 0.0013 (14) | 0.0003 (16) | −0.0009 (15) |
C35 | 0.030 (2) | 0.038 (2) | 0.035 (2) | 0.0023 (18) | 0.0033 (17) | −0.0021 (19) |
C34 | 0.033 (3) | 0.046 (3) | 0.039 (2) | −0.0015 (18) | −0.0088 (19) | −0.0083 (19) |
C33 | 0.0218 (19) | 0.041 (2) | 0.053 (3) | −0.0020 (17) | −0.0045 (19) | 0.002 (2) |
C32 | 0.0246 (19) | 0.039 (2) | 0.042 (2) | 0.0005 (17) | 0.008 (2) | −0.0012 (17) |
C31 | 0.027 (2) | 0.0335 (18) | 0.034 (2) | −0.0002 (15) | −0.0006 (18) | 0.0028 (18) |
C21 | 0.035 (2) | 0.032 (2) | 0.044 (3) | −0.0031 (18) | 0.0092 (19) | 0.0075 (19) |
C22 | 0.033 (2) | 0.040 (2) | 0.057 (3) | 0.0028 (19) | 0.014 (2) | 0.006 (2) |
C23 | 0.052 (3) | 0.038 (2) | 0.049 (3) | 0.001 (2) | 0.024 (2) | 0.004 (2) |
C24 | 0.057 (3) | 0.039 (2) | 0.031 (2) | −0.007 (2) | 0.012 (2) | 0.0021 (18) |
C25 | 0.038 (2) | 0.032 (2) | 0.041 (3) | 0.0004 (18) | 0.0053 (19) | 0.0038 (18) |
C26 | 0.029 (2) | 0.0283 (19) | 0.028 (2) | −0.0093 (16) | 0.0059 (16) | 0.0002 (15) |
C16 | 0.028 (2) | 0.025 (2) | 0.036 (2) | 0.0034 (16) | −0.0013 (17) | −0.0007 (16) |
C15 | 0.037 (3) | 0.035 (2) | 0.040 (2) | 0.0012 (18) | −0.0046 (19) | −0.0014 (19) |
C14 | 0.035 (3) | 0.037 (2) | 0.058 (3) | 0.0054 (19) | −0.017 (2) | −0.001 (2) |
C13 | 0.025 (2) | 0.043 (3) | 0.066 (3) | 0.0058 (19) | −0.008 (2) | −0.010 (2) |
C12 | 0.028 (2) | 0.040 (2) | 0.052 (3) | 0.0024 (18) | 0.0081 (19) | −0.004 (2) |
C11 | 0.032 (2) | 0.031 (2) | 0.035 (2) | 0.0024 (16) | 0.0014 (17) | −0.0027 (16) |
Os1—C3 | 1.913 (4) | N2'—N3' | 1.276 (5) |
Os1—C1 | 1.925 (4) | N3'—C36 | 1.404 (5) |
Os1—C2 | 1.934 (5) | N3—N2 | 1.315 (5) |
Os1—N1 | 2.113 (3) | N3—C26 | 1.402 (5) |
Os1—N1' | 2.113 (4) | N2—N1 | 1.307 (5) |
Os1—N3 | 2.138 (4) | N1—C16 | 1.402 (5) |
F45—C45 | 1.346 (6) | C45—C46 | 1.368 (7) |
F44—C44 | 1.335 (8) | C45—C44 | 1.386 (8) |
F43—C43 | 1.356 (6) | C44—C43 | 1.375 (10) |
F42—C42 | 1.338 (7) | C43—C42 | 1.348 (10) |
F41—C41 | 1.307 (7) | C42—C41 | 1.385 (7) |
F35—C35 | 1.327 (5) | C41—C46 | 1.417 (7) |
F34—C34 | 1.348 (5) | C36—C31 | 1.387 (6) |
F33—C33 | 1.346 (5) | C36—C35 | 1.395 (6) |
F32—C32 | 1.328 (5) | C35—C34 | 1.382 (6) |
F31—C31 | 1.348 (5) | C34—C33 | 1.361 (7) |
F21—C21 | 1.338 (5) | C33—C32 | 1.379 (7) |
F22—C22 | 1.327 (6) | C32—C31 | 1.380 (6) |
F23—C23 | 1.339 (6) | C21—C22 | 1.383 (6) |
F24—C24 | 1.337 (6) | C21—C26 | 1.385 (6) |
F25—C25 | 1.335 (6) | C22—C23 | 1.380 (7) |
F15—C15 | 1.342 (6) | C23—C24 | 1.360 (8) |
F14—C14 | 1.335 (6) | C24—C25 | 1.378 (7) |
F13—C13 | 1.332 (6) | C25—C26 | 1.404 (6) |
F12—C12 | 1.350 (6) | C16—C15 | 1.389 (6) |
F11—C11 | 1.335 (5) | C16—C11 | 1.400 (6) |
O1—C1 | 1.123 (5) | C15—C14 | 1.386 (7) |
O2—C2 | 1.122 (6) | C14—C13 | 1.384 (8) |
O3—C3 | 1.127 (5) | C13—C12 | 1.358 (8) |
N1'—N2' | 1.325 (5) | C12—C11 | 1.368 (7) |
N1'—C46 | 1.424 (5) | ||
C3—Os1—C1 | 87.53 (18) | F35—C35—C34 | 117.2 (4) |
C3—Os1—C2 | 90.9 (2) | F35—C35—C36 | 121.8 (4) |
C1—Os1—C2 | 91.89 (19) | C34—C35—C36 | 121.0 (4) |
C3—Os1—N1 | 166.00 (16) | F34—C34—C33 | 119.8 (4) |
C1—Os1—N1 | 106.47 (16) | F34—C34—C35 | 119.3 (5) |
C2—Os1—N1 | 88.38 (18) | C33—C34—C35 | 120.9 (4) |
C3—Os1—N1' | 95.02 (17) | F33—C33—C34 | 120.7 (5) |
C1—Os1—N1' | 91.62 (16) | F33—C33—C32 | 119.2 (4) |
C2—Os1—N1' | 173.28 (18) | C34—C33—C32 | 120.1 (4) |
N1—Os1—N1' | 85.13 (13) | F32—C32—C31 | 120.8 (4) |
C3—Os1—N3 | 107.96 (16) | F32—C32—C33 | 120.9 (4) |
C1—Os1—N3 | 164.26 (15) | C31—C32—C33 | 118.3 (4) |
C2—Os1—N3 | 90.74 (16) | F31—C31—C32 | 116.8 (4) |
N1—Os1—N3 | 58.09 (14) | F31—C31—C36 | 119.6 (3) |
N1'—Os1—N3 | 84.35 (14) | C32—C31—C36 | 123.6 (4) |
N2'—N1'—C46 | 110.3 (3) | F21—C21—C22 | 117.1 (4) |
N2'—N1'—Os1 | 124.6 (3) | F21—C21—C26 | 120.1 (4) |
C46—N1'—Os1 | 123.6 (3) | C22—C21—C26 | 122.8 (4) |
N3'—N2'—N1' | 113.1 (3) | F22—C22—C23 | 120.3 (4) |
N2'—N3'—C36 | 114.3 (4) | F22—C22—C21 | 120.5 (4) |
N2—N3—C26 | 117.6 (3) | C23—C22—C21 | 119.2 (4) |
N2—N3—Os1 | 98.2 (2) | F23—C23—C24 | 120.0 (5) |
C26—N3—Os1 | 142.7 (3) | F23—C23—C22 | 120.7 (5) |
N1—N2—N3 | 103.8 (3) | C24—C23—C22 | 119.2 (4) |
N2—N1—C16 | 118.2 (4) | F24—C24—C23 | 120.3 (5) |
N2—N1—Os1 | 99.7 (2) | F24—C24—C25 | 118.0 (5) |
C16—N1—Os1 | 141.3 (3) | C23—C24—C25 | 121.7 (4) |
O1—C1—Os1 | 176.5 (4) | F25—C25—C24 | 118.2 (4) |
O2—C2—Os1 | 176.8 (5) | F25—C25—C26 | 121.2 (4) |
O3—C3—Os1 | 177.4 (4) | C24—C25—C26 | 120.6 (4) |
F45—C45—C46 | 118.8 (4) | C21—C26—C25 | 116.4 (4) |
F45—C45—C44 | 119.6 (5) | C21—C26—N3 | 118.5 (4) |
C46—C45—C44 | 121.6 (5) | C25—C26—N3 | 125.0 (4) |
F44—C44—C43 | 121.6 (6) | C15—C16—C11 | 117.0 (4) |
F44—C44—C45 | 119.5 (7) | C15—C16—N1 | 125.5 (4) |
C43—C44—C45 | 118.9 (6) | C11—C16—N1 | 117.4 (4) |
C42—C43—F43 | 120.7 (7) | F15—C15—C14 | 118.3 (4) |
C42—C43—C44 | 121.2 (5) | F15—C15—C16 | 120.5 (4) |
F43—C43—C44 | 118.1 (7) | C14—C15—C16 | 121.1 (5) |
F42—C42—C43 | 120.7 (5) | F14—C14—C13 | 120.7 (4) |
F42—C42—C41 | 118.6 (6) | F14—C14—C15 | 119.3 (5) |
C43—C42—C41 | 120.7 (6) | C13—C14—C15 | 120.0 (5) |
F41—C41—C46 | 121.2 (4) | F13—C13—C12 | 120.9 (5) |
F41—C41—C42 | 119.3 (5) | F13—C13—C14 | 119.5 (5) |
C46—C41—C42 | 119.3 (5) | C12—C13—C14 | 119.6 (4) |
C45—C46—C41 | 118.3 (4) | F12—C12—C13 | 119.3 (4) |
C45—C46—N1' | 122.5 (4) | F12—C12—C11 | 120.0 (5) |
C41—C46—N1' | 119.2 (4) | C13—C12—C11 | 120.7 (5) |
C31—C36—C35 | 116.0 (4) | F11—C11—C12 | 119.7 (4) |
C31—C36—N3' | 116.3 (4) | F11—C11—C16 | 118.7 (4) |
C35—C36—N3' | 127.7 (4) | C12—C11—C16 | 121.6 (4) |