In the centrosymmetric molecule of the title compound, [Hg(C12H10O2P)2(C5H5N)2(C12H11O2P)2], the approximately octahedral Hg atom is coordinated by two each of phenylphosphinate, phosphinic acid and pyridine ligands. Each pair of phosphinic acid and phosphinate ligands features an intramolecular hydrogen bond, so forming an eight-membered ring.
Supporting information
CCDC reference: 264149
Key indicators
- Single-crystal X-ray study
- T = 200 K
- Mean (C-C) = 0.009 Å
- R factor = 0.047
- wR factor = 0.115
- Data-to-parameter ratio = 18.5
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.09
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.93 Ratio
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
3 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
2 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: Collect (Nonius, 2000); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Crystal Impact, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).
Bis(diphenylphosphinato-
κO)bis(diphenylphosphinic
acid-
κO)bis(pyridine-
κN)mercury(II)
top
Crystal data top
[Hg(C12H10O2P)2(C5H5N)2(C12H11O2P)2] | Z = 1 |
Mr = 1229.49 | F(000) = 618 |
Triclinic, P1 | Dx = 1.523 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.4511 (3) Å | Cell parameters from 27102 reflections |
b = 12.3528 (5) Å | θ = 2.9–27.5° |
c = 12.6391 (4) Å | µ = 3.05 mm−1 |
α = 101.853 (2)° | T = 200 K |
β = 109.278 (2)° | Prism, colorless |
γ = 95.797 (2)° | 0.30 × 0.12 × 0.08 mm |
V = 1340.19 (8) Å3 | |
Data collection top
Nonius KappaCCD diffractometer | 6145 independent reflections |
Radiation source: Enraf–Nonius FR590 | 5482 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.078 |
CCD rotation images, thick slices scans | θmax = 27.7°, θmin = 3.1° |
Absorption correction: multi-scan SADABS (Bruker, 2004) | h = −12→11 |
Tmin = 0.630, Tmax = 0.784 | k = −16→15 |
25466 measured reflections | l = −16→16 |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.047 | H-atom parameters constrained |
wR(F2) = 0.115 | w = 1/[σ2(Fo2) + (0.0663P)2 + 1.7278P] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 | (Δ/σ)max = 0.001 |
6145 reflections | Δρmax = 3.14 e Å−3 |
332 parameters | Δρmin = −1.51 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.0051 (10) |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Hg | 0 | 0 | 0.5 | 0.02908 (12) | |
P1 | −0.04995 (14) | 0.22697 (10) | 0.72322 (11) | 0.0289 (3) | |
P2 | 0.05597 (14) | 0.10971 (10) | 0.25214 (10) | 0.0273 (3) | |
O11 | −0.1006 (4) | 0.1574 (3) | 0.6019 (3) | 0.0402 (9) | |
O12 | −0.0763 (4) | 0.1714 (3) | 0.8148 (3) | 0.0345 (8) | |
O21 | 0.0820 (4) | 0.1152 (3) | 0.3764 (3) | 0.0331 (8) | |
O22 | −0.0290 (4) | −0.0009 (3) | 0.1629 (3) | 0.0316 (7) | |
H22 | 0.0172 | −0.0532 | 0.1798 | 0.047* | |
N1 | 0.2394 (4) | 0.0420 (3) | 0.6090 (3) | 0.0269 (8) | |
C1 | 0.3420 (6) | 0.0624 (4) | 0.5598 (4) | 0.0321 (10) | |
H1 | 0.3076 | 0.056 | 0.4788 | 0.039* | |
C2 | 0.4965 (6) | 0.0926 (4) | 0.6242 (4) | 0.0335 (11) | |
H2 | 0.567 | 0.107 | 0.5876 | 0.04* | |
C3 | 0.5474 (6) | 0.1016 (5) | 0.7415 (5) | 0.0360 (11) | |
H3 | 0.653 | 0.1228 | 0.7872 | 0.043* | |
C4 | 0.4412 (6) | 0.0792 (5) | 0.7916 (4) | 0.0349 (11) | |
H4 | 0.4731 | 0.0838 | 0.8723 | 0.042* | |
C5 | 0.2888 (5) | 0.0502 (4) | 0.7232 (4) | 0.0292 (10) | |
H5 | 0.2163 | 0.0355 | 0.758 | 0.035* | |
C111 | 0.1518 (5) | 0.2851 (4) | 0.7752 (4) | 0.0291 (10) | |
C112 | 0.2174 (6) | 0.3126 (5) | 0.6981 (5) | 0.0400 (12) | |
H112 | 0.1577 | 0.2988 | 0.6181 | 0.048* | |
C113 | 0.3722 (7) | 0.3607 (5) | 0.7397 (6) | 0.0481 (15) | |
H113 | 0.4179 | 0.3808 | 0.6882 | 0.058* | |
C114 | 0.4579 (6) | 0.3789 (5) | 0.8553 (6) | 0.0483 (15) | |
H114 | 0.563 | 0.4114 | 0.8831 | 0.058* | |
C115 | 0.3939 (6) | 0.3506 (5) | 0.9318 (6) | 0.0444 (14) | |
H115 | 0.4544 | 0.3638 | 1.0116 | 0.053* | |
C116 | 0.2400 (6) | 0.3025 (4) | 0.8914 (5) | 0.0341 (11) | |
H116 | 0.1956 | 0.2816 | 0.9433 | 0.041* | |
C121 | −0.1424 (6) | 0.3468 (4) | 0.7285 (5) | 0.0356 (11) | |
C122 | −0.2221 (8) | 0.3733 (6) | 0.6265 (7) | 0.0619 (18) | |
H122 | −0.2306 | 0.3272 | 0.5538 | 0.074* | |
C123 | −0.2895 (10) | 0.4682 (8) | 0.6319 (10) | 0.085 (3) | |
H123 | −0.3488 | 0.484 | 0.5618 | 0.103* | |
C124 | −0.2731 (9) | 0.5389 (6) | 0.7346 (11) | 0.078 (3) | |
H124 | −0.3165 | 0.605 | 0.7363 | 0.093* | |
C125 | −0.1938 (8) | 0.5137 (5) | 0.8344 (8) | 0.064 (2) | |
H125 | −0.1832 | 0.5621 | 0.9066 | 0.077* | |
C126 | −0.1282 (7) | 0.4187 (5) | 0.8330 (6) | 0.0452 (14) | |
H126 | −0.0729 | 0.4024 | 0.9039 | 0.054* | |
C211 | −0.0512 (5) | 0.2157 (4) | 0.2075 (4) | 0.0292 (10) | |
C212 | −0.0541 (6) | 0.3063 (5) | 0.2925 (5) | 0.0396 (12) | |
H212 | −0.005 | 0.3095 | 0.3722 | 0.048* | |
C213 | −0.1295 (7) | 0.3920 (5) | 0.2600 (6) | 0.0465 (14) | |
H213 | −0.1303 | 0.4544 | 0.3178 | 0.056* | |
C214 | −0.2026 (6) | 0.3872 (5) | 0.1451 (6) | 0.0450 (14) | |
H214 | −0.254 | 0.446 | 0.1236 | 0.054* | |
C215 | −0.2014 (6) | 0.2967 (5) | 0.0609 (5) | 0.0422 (13) | |
H215 | −0.253 | 0.2932 | −0.0185 | 0.051* | |
C216 | −0.1262 (6) | 0.2114 (5) | 0.0909 (5) | 0.0358 (11) | |
H216 | −0.1254 | 0.1497 | 0.0322 | 0.043* | |
C221 | 0.2352 (5) | 0.1409 (4) | 0.2327 (4) | 0.0304 (10) | |
C222 | 0.2407 (6) | 0.1150 (5) | 0.1221 (5) | 0.0383 (12) | |
H222 | 0.1504 | 0.0793 | 0.0577 | 0.046* | |
C223 | 0.3757 (7) | 0.1403 (6) | 0.1045 (6) | 0.0495 (15) | |
H223 | 0.377 | 0.123 | 0.0281 | 0.059* | |
C224 | 0.5086 (7) | 0.1904 (6) | 0.1971 (6) | 0.0530 (16) | |
H224 | 0.6015 | 0.2066 | 0.1848 | 0.064* | |
C225 | 0.5052 (7) | 0.2164 (5) | 0.3065 (6) | 0.0508 (15) | |
H225 | 0.5967 | 0.2509 | 0.3703 | 0.061* | |
C226 | 0.3694 (6) | 0.1931 (5) | 0.3264 (5) | 0.0379 (12) | |
H226 | 0.3684 | 0.2125 | 0.4029 | 0.045* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Hg | 0.02206 (15) | 0.03481 (18) | 0.02776 (16) | 0.00499 (10) | 0.00724 (10) | 0.00536 (10) |
P1 | 0.0247 (6) | 0.0257 (6) | 0.0337 (6) | 0.0048 (5) | 0.0093 (5) | 0.0039 (5) |
P2 | 0.0264 (6) | 0.0273 (6) | 0.0290 (6) | 0.0044 (5) | 0.0089 (5) | 0.0112 (5) |
O11 | 0.040 (2) | 0.033 (2) | 0.037 (2) | 0.0085 (15) | 0.0058 (16) | −0.0013 (15) |
O12 | 0.0301 (18) | 0.0312 (18) | 0.044 (2) | 0.0046 (14) | 0.0170 (16) | 0.0083 (15) |
O21 | 0.0334 (19) | 0.038 (2) | 0.0301 (17) | 0.0067 (15) | 0.0109 (14) | 0.0131 (15) |
O22 | 0.0275 (17) | 0.0292 (18) | 0.0362 (18) | 0.0052 (13) | 0.0073 (14) | 0.0107 (14) |
N1 | 0.0219 (19) | 0.031 (2) | 0.029 (2) | 0.0082 (15) | 0.0096 (16) | 0.0081 (16) |
C1 | 0.027 (2) | 0.038 (3) | 0.034 (2) | 0.008 (2) | 0.014 (2) | 0.007 (2) |
C2 | 0.027 (2) | 0.041 (3) | 0.037 (3) | 0.009 (2) | 0.018 (2) | 0.007 (2) |
C3 | 0.023 (2) | 0.041 (3) | 0.040 (3) | 0.011 (2) | 0.007 (2) | 0.005 (2) |
C4 | 0.029 (3) | 0.044 (3) | 0.029 (2) | 0.008 (2) | 0.006 (2) | 0.008 (2) |
C5 | 0.026 (2) | 0.033 (3) | 0.030 (2) | 0.0060 (19) | 0.0124 (19) | 0.0072 (19) |
C111 | 0.028 (2) | 0.019 (2) | 0.038 (3) | 0.0062 (17) | 0.012 (2) | 0.0021 (19) |
C112 | 0.041 (3) | 0.032 (3) | 0.053 (3) | 0.008 (2) | 0.022 (3) | 0.014 (2) |
C113 | 0.045 (3) | 0.039 (3) | 0.075 (4) | 0.013 (3) | 0.034 (3) | 0.023 (3) |
C114 | 0.028 (3) | 0.036 (3) | 0.080 (5) | 0.007 (2) | 0.017 (3) | 0.015 (3) |
C115 | 0.033 (3) | 0.034 (3) | 0.054 (3) | 0.007 (2) | 0.002 (2) | 0.006 (2) |
C116 | 0.031 (3) | 0.025 (2) | 0.043 (3) | 0.0066 (19) | 0.010 (2) | 0.005 (2) |
C121 | 0.028 (3) | 0.027 (3) | 0.047 (3) | 0.0013 (19) | 0.010 (2) | 0.008 (2) |
C122 | 0.053 (4) | 0.054 (4) | 0.070 (4) | 0.020 (3) | 0.006 (3) | 0.019 (3) |
C123 | 0.058 (5) | 0.077 (6) | 0.123 (8) | 0.026 (4) | 0.012 (5) | 0.058 (6) |
C124 | 0.049 (4) | 0.031 (4) | 0.173 (10) | 0.019 (3) | 0.055 (5) | 0.039 (5) |
C125 | 0.055 (4) | 0.032 (3) | 0.119 (7) | 0.012 (3) | 0.052 (4) | 0.010 (4) |
C126 | 0.042 (3) | 0.033 (3) | 0.066 (4) | 0.008 (2) | 0.030 (3) | 0.006 (3) |
C211 | 0.024 (2) | 0.031 (3) | 0.034 (2) | 0.0041 (18) | 0.0114 (19) | 0.011 (2) |
C212 | 0.034 (3) | 0.042 (3) | 0.040 (3) | 0.009 (2) | 0.010 (2) | 0.009 (2) |
C213 | 0.042 (3) | 0.035 (3) | 0.056 (4) | 0.011 (2) | 0.013 (3) | 0.003 (3) |
C214 | 0.035 (3) | 0.035 (3) | 0.066 (4) | 0.012 (2) | 0.012 (3) | 0.023 (3) |
C215 | 0.036 (3) | 0.044 (3) | 0.047 (3) | 0.010 (2) | 0.007 (2) | 0.022 (3) |
C216 | 0.036 (3) | 0.035 (3) | 0.036 (3) | 0.009 (2) | 0.009 (2) | 0.011 (2) |
C221 | 0.029 (2) | 0.028 (2) | 0.036 (3) | 0.0038 (19) | 0.010 (2) | 0.013 (2) |
C222 | 0.037 (3) | 0.044 (3) | 0.036 (3) | 0.010 (2) | 0.013 (2) | 0.016 (2) |
C223 | 0.054 (4) | 0.058 (4) | 0.054 (4) | 0.018 (3) | 0.032 (3) | 0.027 (3) |
C224 | 0.041 (3) | 0.058 (4) | 0.076 (5) | 0.010 (3) | 0.031 (3) | 0.034 (3) |
C225 | 0.031 (3) | 0.050 (4) | 0.061 (4) | −0.004 (2) | 0.006 (3) | 0.013 (3) |
C226 | 0.034 (3) | 0.040 (3) | 0.034 (3) | 0.000 (2) | 0.008 (2) | 0.009 (2) |
Geometric parameters (Å, º) top
Hg—N1 | 2.168 (4) | C121—C122 | 1.385 (9) |
Hg—O11 | 2.549 (4) | C121—C126 | 1.388 (8) |
Hg—O21 | 2.561 (3) | C122—C123 | 1.389 (11) |
P1—O11 | 1.487 (4) | C122—H122 | 0.95 |
P1—O12 | 1.534 (4) | C123—C124 | 1.359 (14) |
P1—C121 | 1.794 (5) | C123—H123 | 0.95 |
P1—C111 | 1.812 (5) | C124—C125 | 1.355 (13) |
P2—O21 | 1.493 (4) | C124—H124 | 0.95 |
P2—O22 | 1.527 (4) | C125—C126 | 1.381 (9) |
P2—C211 | 1.804 (5) | C125—H125 | 0.95 |
P2—C221 | 1.806 (5) | C126—H126 | 0.95 |
O22—H22 | 0.84 | C211—C212 | 1.392 (7) |
N1—C5 | 1.340 (6) | C211—C216 | 1.396 (7) |
N1—C1 | 1.343 (6) | C212—C213 | 1.391 (8) |
C1—C2 | 1.384 (7) | C212—H212 | 0.95 |
C1—H1 | 0.95 | C213—C214 | 1.372 (9) |
C2—C3 | 1.376 (7) | C213—H213 | 0.95 |
C2—H2 | 0.95 | C214—C215 | 1.380 (9) |
C3—C4 | 1.386 (7) | C214—H214 | 0.95 |
C3—H3 | 0.95 | C215—C216 | 1.377 (8) |
C4—C5 | 1.377 (7) | C215—H215 | 0.95 |
C4—H4 | 0.95 | C216—H216 | 0.95 |
C5—H5 | 0.95 | C221—C222 | 1.388 (7) |
C111—C116 | 1.387 (7) | C221—C226 | 1.399 (7) |
C111—C112 | 1.395 (8) | C222—C223 | 1.382 (8) |
C112—C113 | 1.399 (8) | C222—H222 | 0.95 |
C112—H112 | 0.95 | C223—C224 | 1.381 (10) |
C113—C114 | 1.374 (10) | C223—H223 | 0.95 |
C113—H113 | 0.95 | C224—C225 | 1.365 (10) |
C114—C115 | 1.380 (9) | C224—H224 | 0.95 |
C114—H114 | 0.95 | C225—C226 | 1.401 (8) |
C115—C116 | 1.392 (8) | C225—H225 | 0.95 |
C115—H115 | 0.95 | C226—H226 | 0.95 |
C116—H116 | 0.95 | | |
| | | |
N1—Hg—O11i | 79.77 (13) | C111—C116—C115 | 119.9 (5) |
N1—Hg—O11 | 100.23 (13) | C111—C116—H116 | 120.0 |
N1—Hg—O21i | 95.71 (13) | C115—C116—H116 | 120.0 |
O11i—Hg—O21i | 95.02 (12) | C122—C121—C126 | 118.5 (6) |
O11—Hg—O21i | 84.98 (12) | C122—C121—P1 | 119.7 (5) |
N1—Hg—O21 | 84.29 (13) | C126—C121—P1 | 121.6 (4) |
N1i—Hg—O21 | 95.71 (13) | C121—C122—C123 | 119.2 (8) |
O11i—Hg—O21 | 84.98 (12) | C121—C122—H122 | 120.4 |
O11—Hg—O21 | 95.02 (12) | C123—C122—H122 | 120.4 |
O11—P1—O12 | 118.1 (2) | C124—C123—C122 | 121.8 (8) |
O11—P1—C121 | 110.0 (2) | C124—C123—H123 | 119.1 |
O12—P1—C121 | 105.8 (2) | C122—C123—H123 | 119.1 |
O11—P1—C111 | 110.1 (2) | C125—C124—C123 | 119.0 (7) |
O12—P1—C111 | 106.9 (2) | C125—C124—H124 | 120.5 |
C121—P1—C111 | 105.0 (2) | C123—C124—H124 | 120.5 |
O21—P2—O22 | 117.7 (2) | C124—C125—C126 | 121.0 (8) |
O21—P2—C211 | 109.9 (2) | C124—C125—H125 | 119.5 |
O22—P2—C211 | 105.9 (2) | C126—C125—H125 | 119.5 |
O21—P2—C221 | 110.5 (2) | C125—C126—C121 | 120.4 (7) |
O22—P2—C221 | 106.0 (2) | C125—C126—H126 | 119.8 |
C211—P2—C221 | 106.3 (2) | C121—C126—H126 | 119.8 |
P1—O11—Hg | 133.7 (2) | C212—C211—C216 | 119.5 (5) |
P2—O21—Hg | 139.8 (2) | C212—C211—P2 | 118.5 (4) |
P2—O22—H22 | 109.5 | C216—C211—P2 | 121.9 (4) |
C5—N1—C1 | 118.9 (4) | C213—C212—C211 | 119.6 (5) |
C5—N1—Hg | 122.9 (3) | C213—C212—H212 | 120.2 |
C1—N1—Hg | 118.2 (3) | C211—C212—H212 | 120.2 |
N1—C1—C2 | 121.7 (5) | C214—C213—C212 | 120.6 (6) |
N1—C1—H1 | 119.2 | C214—C213—H213 | 119.7 |
C2—C1—H1 | 119.2 | C212—C213—H213 | 119.7 |
C3—C2—C1 | 119.5 (5) | C213—C214—C215 | 119.8 (5) |
C3—C2—H2 | 120.2 | C213—C214—H214 | 120.1 |
C1—C2—H2 | 120.2 | C215—C214—H214 | 120.1 |
C2—C3—C4 | 118.6 (5) | C216—C215—C214 | 120.7 (5) |
C2—C3—H3 | 120.7 | C216—C215—H215 | 119.6 |
C4—C3—H3 | 120.7 | C214—C215—H215 | 119.6 |
C5—C4—C3 | 119.2 (5) | C215—C216—C211 | 119.8 (5) |
C5—C4—H4 | 120.4 | C215—C216—H216 | 120.1 |
C3—C4—H4 | 120.4 | C211—C216—H216 | 120.1 |
N1—C5—C4 | 122.1 (4) | C222—C221—C226 | 118.7 (5) |
N1—C5—H5 | 118.9 | C222—C221—P2 | 119.7 (4) |
C4—C5—H5 | 118.9 | C226—C221—P2 | 121.7 (4) |
C116—C111—C112 | 120.3 (5) | C223—C222—C221 | 120.8 (5) |
C116—C111—P1 | 120.0 (4) | C223—C222—H222 | 119.6 |
C112—C111—P1 | 119.7 (4) | C221—C222—H222 | 119.6 |
C111—C112—C113 | 119.3 (6) | C224—C223—C222 | 120.5 (6) |
C111—C112—H112 | 120.4 | C224—C223—H223 | 119.7 |
C113—C112—H112 | 120.4 | C222—C223—H223 | 119.7 |
C114—C113—C112 | 119.9 (6) | C225—C224—C223 | 119.4 (6) |
C114—C113—H113 | 120.1 | C225—C224—H224 | 120.3 |
C112—C113—H113 | 120.1 | C223—C224—H224 | 120.3 |
C113—C114—C115 | 121.1 (5) | C224—C225—C226 | 121.2 (6) |
C113—C114—H114 | 119.4 | C224—C225—H225 | 119.4 |
C115—C114—H114 | 119.4 | C226—C225—H225 | 119.4 |
C114—C115—C116 | 119.6 (6) | C221—C226—C225 | 119.4 (5) |
C114—C115—H115 | 120.2 | C221—C226—H226 | 120.3 |
C116—C115—H115 | 120.2 | C225—C226—H226 | 120.3 |
| | | |
O12—P1—O11—Hg | −73.5 (4) | C114—C115—C116—C111 | −1.1 (8) |
C121—P1—O11—Hg | 165.0 (3) | O11—P1—C121—C122 | −11.5 (6) |
C111—P1—O11—Hg | 49.7 (4) | O12—P1—C121—C122 | −140.2 (5) |
N1—Hg—O11—P1 | −26.9 (3) | C111—P1—C121—C122 | 107.0 (5) |
N1i—Hg—O11—P1 | 153.1 (3) | O11—P1—C121—C126 | 172.7 (4) |
O21i—Hg—O11—P1 | 68.0 (3) | O12—P1—C121—C126 | 44.1 (5) |
O21—Hg—O11—P1 | −112.0 (3) | C111—P1—C121—C126 | −68.8 (5) |
O22—P2—O21—Hg | −10.1 (4) | C126—C121—C122—C123 | −2.3 (10) |
C211—P2—O21—Hg | 111.1 (3) | P1—C121—C122—C123 | −178.1 (6) |
C221—P2—O21—Hg | −131.9 (3) | C121—C122—C123—C124 | 3.4 (13) |
N1—Hg—O21—P2 | 136.2 (3) | C122—C123—C124—C125 | −2.7 (13) |
N1i—Hg—O21—P2 | −43.8 (3) | C123—C124—C125—C126 | 1.0 (11) |
O11i—Hg—O21—P2 | 56.1 (3) | C124—C125—C126—C121 | 0.0 (10) |
O11—Hg—O21—P2 | −123.9 (3) | C122—C121—C126—C125 | 0.7 (9) |
O11i—Hg—N1—C5 | −122.3 (4) | P1—C121—C126—C125 | 176.5 (5) |
O11—Hg—N1—C5 | 57.7 (4) | O21—P2—C211—C212 | 19.6 (5) |
O21i—Hg—N1—C5 | −28.3 (4) | O22—P2—C211—C212 | 147.7 (4) |
O21—Hg—N1—C5 | 151.7 (4) | C221—P2—C211—C212 | −99.9 (4) |
O11i—Hg—N1—C1 | 58.8 (4) | O21—P2—C211—C216 | −162.6 (4) |
O11—Hg—N1—C1 | −121.2 (4) | O22—P2—C211—C216 | −34.6 (5) |
O21i—Hg—N1—C1 | 152.9 (4) | C221—P2—C211—C216 | 77.9 (5) |
O21—Hg—N1—C1 | −27.1 (4) | C216—C211—C212—C213 | −1.1 (8) |
C5—N1—C1—C2 | −0.6 (7) | P2—C211—C212—C213 | 176.7 (4) |
Hg—N1—C1—C2 | 178.3 (4) | C211—C212—C213—C214 | 0.9 (9) |
N1—C1—C2—C3 | 0.3 (8) | C212—C213—C214—C215 | −0.1 (9) |
C1—C2—C3—C4 | 0.5 (8) | C213—C214—C215—C216 | −0.6 (9) |
C2—C3—C4—C5 | −0.8 (8) | C214—C215—C216—C211 | 0.5 (8) |
C1—N1—C5—C4 | 0.2 (7) | C212—C211—C216—C215 | 0.4 (8) |
Hg—N1—C5—C4 | −178.6 (4) | P2—C211—C216—C215 | −177.4 (4) |
C3—C4—C5—N1 | 0.5 (8) | O21—P2—C221—C222 | 164.8 (4) |
O11—P1—C111—C116 | −147.7 (4) | O22—P2—C221—C222 | 36.4 (5) |
O12—P1—C111—C116 | −18.2 (4) | C211—P2—C221—C222 | −76.0 (5) |
C121—P1—C111—C116 | 93.9 (4) | O21—P2—C221—C226 | −16.5 (5) |
O11—P1—C111—C112 | 32.6 (5) | O22—P2—C221—C226 | −145.0 (4) |
O12—P1—C111—C112 | 162.1 (4) | C211—P2—C221—C226 | 102.6 (5) |
C121—P1—C111—C112 | −85.8 (4) | C226—C221—C222—C223 | −0.2 (8) |
C116—C111—C112—C113 | −1.7 (8) | P2—C221—C222—C223 | 178.5 (4) |
P1—C111—C112—C113 | 178.0 (4) | C221—C222—C223—C224 | 1.1 (9) |
C111—C112—C113—C114 | 0.9 (8) | C222—C223—C224—C225 | −1.0 (10) |
C112—C113—C114—C115 | −0.1 (9) | C223—C224—C225—C226 | 0.0 (10) |
C113—C114—C115—C116 | 0.2 (9) | C222—C221—C226—C225 | −0.8 (8) |
C112—C111—C116—C115 | 1.8 (7) | P2—C221—C226—C225 | −179.4 (4) |
P1—C111—C116—C115 | −177.9 (4) | C224—C225—C226—C221 | 0.8 (9) |
Symmetry code: (i) −x, −y, −z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O22—H22···O12i | 0.84 | 1.62 | 2.447 (5) | 167 |
Symmetry code: (i) −x, −y, −z+1. |