Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768199014500/ns0002sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768199014500/ns00021sup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768199014500/ns00022sup3.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768199014500/ns00023sup4.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108768199014500/ns00024sup5.hkl |
CCDC references: 144350; 144351; 144352; 144353
For all compounds, data collection: Siemens SMART; cell refinement: Siemens SMART; data reduction: Siemens SHELXTL; program(s) used to solve structure: SHELXS86 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: Siemens SHELXTL; software used to prepare material for publication: Siemens SHELXTL.
[PtCl2(As(C6H5)3)2] | F(000) = 848 |
Mr = 878.43 | Dx = 1.748 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 8192 reflections |
a = 9.2706 (19) Å | θ = 2–30° |
b = 19.726 (4) Å | µ = 6.36 mm−1 |
c = 9.830 (2) Å | T = 293 K |
β = 111.83 (3)° | Cube, yellow |
V = 1668.8 (6) Å3 | 0.20 × 0.19 × 0.17 mm |
Z = 2 |
SMART CCD diffractometer | 5096 independent reflections |
Radiation source: rotating anode | 4229 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.029 |
ω scans | θmax = 31.6°, θmin = 2.1° |
Absorption correction: multi-scan | h = −13→8 |
Tmin = 0.274, Tmax = 0.339 | k = −27→28 |
13750 measured reflections | l = −13→14 |
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)] = 0.026 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.061 | Riding model |
S = 1.05 | Calculated w = 1/[σ2(Fo2) + (0.0247P)2 + 0.5297P] where P = (Fo2 + 2Fc2)/3 |
5096 reflections | (Δ/σ)max = 0.029 |
190 parameters | Δρmax = 0.97 e Å−3 |
0 restraints | Δρmin = −1.00 e Å−3 |
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 | ||
Pt | 0.0000 | 0.0000 | 0.5000 | 0.03138 (5) | |
As1 | −0.02462 (3) | 0.095905 (13) | 0.64176 (3) | 0.03464 (7) | |
Cl1 | 0.21184 (10) | −0.03996 (4) | 0.69233 (9) | 0.0567 (2) | |
C111 | 0.0493 (3) | 0.17962 (14) | 0.5873 (3) | 0.0405 (6) | |
C112 | 0.1054 (5) | 0.23103 (18) | 0.6869 (5) | 0.0723 (11) | |
H112 | 0.1112 | 0.2258 | 0.7828 | 0.087* | |
C113 | 0.1538 (6) | 0.2913 (2) | 0.6425 (7) | 0.0961 (17) | |
H113 | 0.1927 | 0.3262 | 0.7098 | 0.115* | |
C114 | 0.1450 (6) | 0.2994 (2) | 0.5044 (8) | 0.0985 (18) | |
H114 | 0.1766 | 0.3399 | 0.4758 | 0.118* | |
C115 | 0.0893 (6) | 0.2480 (3) | 0.4058 (6) | 0.0944 (16) | |
H115 | 0.0838 | 0.2535 | 0.3100 | 0.113* | |
C116 | 0.0409 (5) | 0.18767 (19) | 0.4470 (4) | 0.0626 (9) | |
H116 | 0.0029 | 0.1529 | 0.3792 | 0.075* | |
C121 | −0.2386 (4) | 0.11557 (16) | 0.6117 (4) | 0.0474 (7) | |
C122 | −0.3290 (5) | 0.0648 (2) | 0.6338 (6) | 0.0815 (13) | |
H122 | −0.2869 | 0.0219 | 0.6619 | 0.098* | |
C123 | −0.4816 (6) | 0.0770 (3) | 0.6145 (7) | 0.1038 (19) | |
H123 | −0.5405 | 0.0425 | 0.6323 | 0.125* | |
C124 | −0.5465 (5) | 0.1374 (4) | 0.5707 (6) | 0.0972 (18) | |
H124 | −0.6495 | 0.1449 | 0.5589 | 0.117* | |
C125 | −0.4602 (5) | 0.1887 (3) | 0.5431 (5) | 0.0906 (16) | |
H125 | −0.5062 | 0.2304 | 0.5090 | 0.109* | |
C126 | −0.3043 (4) | 0.1783 (2) | 0.5660 (4) | 0.0618 (9) | |
H126 | −0.2450 | 0.2133 | 0.5506 | 0.074* | |
C131 | 0.0796 (4) | 0.09512 (15) | 0.8531 (3) | 0.0492 (7) | |
C132 | −0.0043 (7) | 0.0952 (2) | 0.9434 (5) | 0.0805 (13) | |
H132 | −0.1123 | 0.0946 | 0.9030 | 0.097* | |
C133 | 0.0723 (11) | 0.0961 (3) | 1.0939 (6) | 0.120 (2) | |
H133 | 0.0158 | 0.0949 | 1.1547 | 0.144* | |
C134 | 0.2300 (11) | 0.0986 (3) | 1.1530 (5) | 0.127 (3) | |
H134 | 0.2804 | 0.1019 | 1.2541 | 0.152* | |
C135 | 0.3173 (8) | 0.0963 (3) | 1.0648 (6) | 0.115 (2) | |
H135 | 0.4253 | 0.0956 | 1.1059 | 0.138* | |
C136 | 0.2388 (6) | 0.0950 (3) | 0.9127 (5) | 0.0801 (13) | |
H136 | 0.299 | 0.088 | 0.861 | 0.096* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt | 0.03475 (7) | 0.02837 (7) | 0.03033 (7) | 0.00174 (5) | 0.01129 (5) | −0.00118 (5) |
As1 | 0.03974 (14) | 0.03138 (13) | 0.03460 (13) | −0.00031 (11) | 0.01591 (11) | −0.00467 (11) |
Cl1 | 0.0539 (4) | 0.0553 (5) | 0.0457 (4) | 0.0148 (4) | 0.0009 (4) | 0.0009 (3) |
C111 | 0.0362 (14) | 0.0340 (14) | 0.0504 (17) | −0.0007 (11) | 0.0149 (13) | −0.0008 (12) |
C112 | 0.093 (3) | 0.0448 (19) | 0.068 (2) | −0.0194 (19) | 0.018 (2) | −0.0128 (17) |
C113 | 0.097 (4) | 0.044 (2) | 0.119 (4) | −0.025 (2) | 0.008 (3) | 0.003 (2) |
C114 | 0.079 (3) | 0.060 (3) | 0.149 (5) | −0.014 (2) | 0.035 (3) | 0.041 (3) |
C115 | 0.112 (4) | 0.084 (3) | 0.099 (4) | −0.001 (3) | 0.053 (3) | 0.043 (3) |
C116 | 0.077 (3) | 0.057 (2) | 0.057 (2) | −0.0075 (18) | 0.029 (2) | 0.0085 (17) |
C121 | 0.0414 (16) | 0.0524 (17) | 0.0525 (18) | −0.0020 (13) | 0.0223 (14) | −0.0147 (14) |
C122 | 0.067 (3) | 0.068 (3) | 0.125 (4) | −0.017 (2) | 0.053 (3) | −0.020 (3) |
C123 | 0.068 (3) | 0.124 (5) | 0.143 (5) | −0.038 (3) | 0.066 (3) | −0.053 (4) |
C124 | 0.048 (2) | 0.157 (5) | 0.092 (3) | 0.003 (3) | 0.032 (2) | −0.046 (4) |
C125 | 0.062 (3) | 0.137 (5) | 0.071 (3) | 0.043 (3) | 0.022 (2) | −0.004 (3) |
C126 | 0.058 (2) | 0.077 (3) | 0.054 (2) | 0.0175 (18) | 0.0246 (17) | −0.0003 (17) |
C131 | 0.072 (2) | 0.0401 (15) | 0.0346 (14) | −0.0046 (15) | 0.0186 (15) | −0.0040 (12) |
C132 | 0.122 (4) | 0.081 (3) | 0.051 (2) | 0.007 (3) | 0.046 (3) | −0.002 (2) |
C133 | 0.203 (8) | 0.118 (5) | 0.048 (3) | −0.003 (5) | 0.057 (4) | −0.007 (3) |
C134 | 0.222 (8) | 0.090 (4) | 0.036 (2) | −0.035 (5) | 0.011 (4) | −0.003 (2) |
C135 | 0.122 (5) | 0.122 (5) | 0.058 (3) | −0.038 (4) | −0.017 (3) | 0.004 (3) |
C136 | 0.076 (3) | 0.098 (3) | 0.049 (2) | −0.019 (3) | 0.003 (2) | −0.004 (2) |
Pt—Cl1 | 2.3003 (11) | C121—C122 | 1.374 (5) |
Pt—Cl1i | 2.3003 (11) | C121—C126 | 1.378 (5) |
Pt—As1i | 2.4104 (4) | C122—C123 | 1.377 (6) |
Pt—As1 | 2.4104 (4) | C123—C124 | 1.331 (8) |
As1—C121 | 1.933 (3) | C124—C125 | 1.378 (8) |
As1—C111 | 1.938 (3) | C125—C126 | 1.393 (5) |
As1—C131 | 1.939 (3) | C131—C136 | 1.371 (6) |
C111—C116 | 1.362 (5) | C131—C132 | 1.381 (5) |
C111—C112 | 1.371 (4) | C132—C133 | 1.382 (7) |
C112—C113 | 1.396 (6) | C133—C134 | 1.359 (10) |
C113—C114 | 1.339 (8) | C134—C135 | 1.389 (9) |
C114—C115 | 1.366 (8) | C135—C136 | 1.399 (6) |
C115—C116 | 1.384 (5) | ||
Cl1—Pt—Cl1i | 180.0 | C114—C115—C116 | 120.6 (5) |
Cl1—Pt—As1i | 88.33 (3) | C111—C116—C115 | 119.6 (4) |
Cl1i—Pt—As1i | 91.67 (3) | C122—C121—C126 | 119.0 (3) |
Cl1—Pt—As1 | 91.67 (3) | C122—C121—As1 | 118.7 (3) |
Cl1i—Pt—As1 | 88.33 (3) | C126—C121—As1 | 122.3 (3) |
As1i—Pt—As1 | 180.0 | C121—C122—C123 | 120.4 (5) |
C121—As1—C111 | 103.59 (13) | C124—C123—C122 | 121.3 (5) |
C121—As1—C131 | 103.85 (15) | C123—C124—C125 | 119.6 (4) |
C111—As1—C131 | 102.50 (13) | C124—C125—C126 | 120.2 (5) |
C121—As1—Pt | 112.43 (9) | C121—C126—C125 | 119.4 (4) |
C111—As1—Pt | 112.94 (9) | C136—C131—C132 | 120.0 (4) |
C131—As1—Pt | 119.79 (10) | C136—C131—As1 | 119.1 (3) |
C116—C111—C112 | 120.1 (3) | C132—C131—As1 | 120.9 (3) |
C116—C111—As1 | 119.1 (2) | C131—C132—C133 | 120.0 (6) |
C112—C111—As1 | 120.8 (3) | C134—C133—C132 | 120.0 (6) |
C111—C112—C113 | 119.2 (4) | C133—C134—C135 | 121.1 (5) |
C114—C113—C112 | 120.9 (4) | C134—C135—C136 | 118.4 (6) |
C113—C114—C115 | 119.6 (4) | C131—C136—C135 | 120.4 (5) |
Symmetry code: (i) −x, −y, −z+1. |
[PtCl2(As(C6H5)3)2].2CH2Cl2 | F(000) = 2032 |
Mr = 1048.28 | Dx = 1.768 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 8192 reflections |
a = 20.582 (4) Å | θ = 2–30° |
b = 8.1460 (16) Å | µ = 5.66 mm−1 |
c = 23.491 (5) Å | T = 293 K |
V = 3938.5 (14) Å3 | Rectangle, yellow |
Z = 4 | 0.49 × 0.24 × 0.23 mm |
SMART CCD diffractometer | 7901 independent reflections |
Radiation source: rotating anode | 5609 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.026 |
ω scans | θmax = 34.3°, θmin = 2.0° |
Absorption correction: multi-scan | h = −29→32 |
Tmin = 0.172, Tmax = 0.280 | k = −8→12 |
35863 measured reflections | l = −34→36 |
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)] = 0.032 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.067 | Riding model |
S = 1.20 | Calculated w = 1/[σ2(Fo2) + (0.0164P)2 + 3.4151P] where P = (Fo2 + 2Fc2)/3 |
7901 reflections | (Δ/σ)max = 0.001 |
214 parameters | Δρmax = 0.85 e Å−3 |
0 restraints | Δρmin = −0.74 e Å−3 |
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 | ||
Pt | 0.5000 | 0.0000 | 0.0000 | 0.03300 (4) | |
As1 | 0.563935 (12) | 0.15315 (3) | 0.066429 (10) | 0.03340 (5) | |
Cl1 | 0.40529 (4) | 0.04470 (11) | 0.04966 (3) | 0.05372 (18) | |
Cl3 | 0.74591 (9) | 0.7530 (2) | −0.16502 (6) | 0.1254 (6) | |
Cl4 | 0.86100 (8) | 0.61416 (19) | −0.21631 (7) | 0.1162 (5) | |
C111 | 0.61820 (12) | 0.0138 (3) | 0.11346 (11) | 0.0361 (5) | |
C112 | 0.64569 (15) | 0.0729 (4) | 0.16307 (12) | 0.0466 (6) | |
H112 | 0.6390 | 0.1814 | 0.1739 | 0.056* | |
C113 | 0.68310 (16) | −0.0291 (4) | 0.19663 (14) | 0.0551 (8) | |
H113 | 0.7018 | 0.0114 | 0.2299 | 0.066* | |
C114 | 0.69294 (16) | −0.1894 (4) | 0.18134 (14) | 0.0573 (8) | |
H114 | 0.7178 | −0.2578 | 0.2043 | 0.069* | |
C115 | 0.66600 (17) | −0.2489 (4) | 0.13200 (16) | 0.0581 (8) | |
H115 | 0.6731 | −0.3575 | 0.1215 | 0.070* | |
C116 | 0.62847 (15) | −0.1489 (4) | 0.09789 (13) | 0.0475 (6) | |
H116 | 0.6101 | −0.1901 | 0.0646 | 0.057* | |
C121 | 0.62121 (13) | 0.3056 (3) | 0.02848 (11) | 0.0368 (5) | |
C122 | 0.59450 (17) | 0.3998 (4) | −0.01485 (14) | 0.0529 (7) | |
H122 | 0.5513 | 0.3853 | −0.0252 | 0.063* | |
C123 | 0.6323 (2) | 0.5154 (4) | −0.04268 (16) | 0.0632 (9) | |
H123 | 0.6142 | 0.5802 | −0.0712 | 0.076* | |
C124 | 0.6964 (2) | 0.5340 (5) | −0.02805 (17) | 0.0667 (10) | |
H124 | 0.7218 | 0.6119 | −0.0466 | 0.080* | |
C125 | 0.72326 (17) | 0.4381 (5) | 0.01388 (17) | 0.0626 (9) | |
H125 | 0.7670 | 0.4492 | 0.0229 | 0.075* | |
C126 | 0.68544 (14) | 0.3249 (4) | 0.04274 (14) | 0.0481 (7) | |
H126 | 0.7035 | 0.2620 | 0.0717 | 0.058* | |
C131 | 0.52136 (13) | 0.2898 (3) | 0.12274 (11) | 0.0393 (5) | |
C132 | 0.52942 (17) | 0.4585 (4) | 0.12276 (15) | 0.0546 (8) | |
H132 | 0.5554 | 0.5083 | 0.0953 | 0.065* | |
C133 | 0.49849 (19) | 0.5533 (5) | 0.16405 (19) | 0.0716 (11) | |
H133 | 0.5041 | 0.6665 | 0.1644 | 0.086* | |
C134 | 0.4600 (2) | 0.4805 (5) | 0.20392 (18) | 0.0732 (11) | |
H134 | 0.4395 | 0.5443 | 0.2314 | 0.088* | |
C135 | 0.45128 (18) | 0.3134 (5) | 0.20368 (15) | 0.0661 (10) | |
H135 | 0.4247 | 0.2645 | 0.2309 | 0.079* | |
C136 | 0.48186 (16) | 0.2174 (4) | 0.16316 (14) | 0.0531 (7) | |
H136 | 0.4758 | 0.1042 | 0.1631 | 0.064* | |
C1 | 0.8237 (3) | 0.6919 (9) | −0.1550 (2) | 0.128 (2) | |
H1A | 0.8245 | 0.6080 | −0.1257 | 0.154* | |
H1B | 0.8488 | 0.7845 | −0.1413 | 0.154* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt | 0.02991 (6) | 0.03802 (7) | 0.03106 (6) | −0.00176 (5) | −0.00018 (5) | −0.00303 (5) |
As1 | 0.03124 (10) | 0.03657 (12) | 0.03238 (10) | −0.00118 (10) | −0.00114 (10) | −0.00313 (10) |
Cl1 | 0.0382 (3) | 0.0708 (5) | 0.0521 (4) | −0.0049 (3) | 0.0095 (3) | −0.0164 (4) |
Cl3 | 0.1513 (15) | 0.1368 (14) | 0.0880 (9) | 0.0353 (12) | −0.0189 (9) | 0.0130 (8) |
Cl4 | 0.1351 (13) | 0.1014 (10) | 0.1120 (11) | 0.0066 (9) | −0.0014 (9) | 0.0242 (8) |
C111 | 0.0327 (11) | 0.0392 (13) | 0.0364 (12) | −0.0021 (10) | 0.0008 (9) | 0.0028 (10) |
C112 | 0.0537 (17) | 0.0448 (16) | 0.0414 (14) | 0.0001 (13) | −0.0088 (12) | −0.0023 (12) |
C113 | 0.0514 (17) | 0.071 (2) | 0.0432 (15) | 0.0020 (15) | −0.0110 (13) | 0.0059 (15) |
C114 | 0.0499 (17) | 0.066 (2) | 0.0563 (18) | 0.0115 (15) | −0.0031 (14) | 0.0162 (16) |
C115 | 0.064 (2) | 0.0433 (16) | 0.067 (2) | 0.0137 (15) | 0.0022 (17) | 0.0062 (15) |
C116 | 0.0513 (16) | 0.0431 (15) | 0.0481 (15) | 0.0014 (13) | −0.0012 (12) | −0.0035 (13) |
C121 | 0.0360 (12) | 0.0371 (13) | 0.0374 (12) | −0.0015 (10) | 0.0025 (10) | −0.0014 (10) |
C122 | 0.0505 (17) | 0.0554 (18) | 0.0528 (17) | −0.0018 (14) | −0.0071 (14) | 0.0125 (14) |
C123 | 0.079 (3) | 0.054 (2) | 0.056 (2) | −0.0027 (18) | −0.0012 (18) | 0.0149 (16) |
C124 | 0.077 (3) | 0.057 (2) | 0.066 (2) | −0.0225 (19) | 0.0126 (19) | 0.0057 (17) |
C125 | 0.0443 (17) | 0.065 (2) | 0.078 (2) | −0.0161 (16) | 0.0022 (16) | 0.0065 (19) |
C126 | 0.0397 (14) | 0.0486 (16) | 0.0561 (17) | −0.0041 (12) | −0.0036 (12) | 0.0031 (14) |
C131 | 0.0364 (12) | 0.0459 (14) | 0.0356 (12) | 0.0024 (11) | −0.0035 (10) | −0.0066 (11) |
C132 | 0.0532 (18) | 0.0491 (17) | 0.061 (2) | 0.0004 (14) | 0.0079 (16) | −0.0125 (15) |
C133 | 0.081 (3) | 0.0535 (19) | 0.080 (3) | 0.0078 (19) | 0.014 (2) | −0.024 (2) |
C134 | 0.076 (3) | 0.081 (3) | 0.063 (2) | 0.012 (2) | 0.014 (2) | −0.025 (2) |
C135 | 0.066 (2) | 0.083 (3) | 0.0493 (18) | 0.0047 (19) | 0.0177 (16) | −0.0071 (18) |
C136 | 0.0590 (18) | 0.0555 (18) | 0.0449 (16) | 0.0014 (15) | 0.0079 (14) | −0.0015 (14) |
C1 | 0.155 (6) | 0.151 (6) | 0.078 (3) | 0.001 (5) | −0.043 (4) | 0.001 (4) |
Pt—Cl1 | 2.3006 (8) | C115—C116 | 1.379 (4) |
Pt—Cl1i | 2.3006 (8) | C121—C126 | 1.373 (4) |
Pt—As1i | 2.3923 (4) | C121—C122 | 1.388 (4) |
Pt—As1 | 2.3923 (4) | C122—C123 | 1.385 (5) |
As1—C121 | 1.930 (3) | C123—C124 | 1.372 (6) |
As1—C131 | 1.938 (3) | C124—C125 | 1.374 (6) |
As1—C111 | 1.938 (3) | C125—C126 | 1.384 (4) |
Cl3—C1 | 1.693 (6) | C131—C136 | 1.382 (4) |
Cl4—C1 | 1.750 (6) | C131—C132 | 1.384 (4) |
C111—C112 | 1.382 (4) | C132—C133 | 1.394 (5) |
C111—C116 | 1.392 (4) | C133—C134 | 1.362 (6) |
C112—C113 | 1.380 (4) | C134—C135 | 1.373 (5) |
C113—C114 | 1.369 (5) | C135—C136 | 1.383 (4) |
C114—C115 | 1.374 (5) | ||
Cl1—Pt—Cl1i | 180.0 | C115—C116—C111 | 119.7 (3) |
Cl1—Pt—As1i | 86.98 (2) | C126—C121—C122 | 119.8 (3) |
Cl1i—Pt—As1i | 93.02 (2) | C126—C121—As1 | 123.3 (2) |
Cl1—Pt—As1 | 93.02 (2) | C122—C121—As1 | 116.9 (2) |
Cl1i—Pt—As1 | 86.98 (2) | C123—C122—C121 | 120.0 (3) |
As1i—Pt—As1 | 180.0 | C124—C123—C122 | 119.8 (3) |
C121—As1—C131 | 102.82 (12) | C123—C124—C125 | 120.3 (3) |
C121—As1—C111 | 106.74 (11) | C124—C125—C126 | 120.3 (3) |
C131—As1—C111 | 101.99 (11) | C121—C126—C125 | 119.9 (3) |
C121—As1—Pt | 111.72 (8) | C136—C131—C132 | 119.6 (3) |
C131—As1—Pt | 119.73 (8) | C136—C131—As1 | 119.3 (2) |
C111—As1—Pt | 112.55 (8) | C132—C131—As1 | 121.1 (2) |
C112—C111—C116 | 119.4 (3) | C131—C132—C133 | 119.7 (4) |
C112—C111—As1 | 120.9 (2) | C134—C133—C132 | 120.2 (4) |
C116—C111—As1 | 119.7 (2) | C133—C134—C135 | 120.3 (3) |
C113—C112—C111 | 120.0 (3) | C134—C135—C136 | 120.2 (3) |
C114—C113—C112 | 120.4 (3) | C131—C136—C135 | 119.9 (3) |
C113—C114—C115 | 119.9 (3) | Cl3—C1—Cl4 | 114.0 (3) |
C114—C115—C116 | 120.5 (3) |
Symmetry code: (i) −x+1, −y, −z. |
[PtCl2(As(C6H5)3)2].C2H4Cl2 | Z = 1 |
Mr = 977.38 | F(000) = 474 |
Triclinic, P1 | Dx = 1.773 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.3899 (19) Å | Cell parameters from 4985 reflections |
b = 9.5481 (19) Å | θ = 2–30° |
c = 11.931 (2) Å | µ = 5.94 mm−1 |
α = 109.70 (3)° | T = 293 K |
β = 108.26 (3)° | Needle, yellow |
γ = 98.77 (3)° | 0.20 × 0.08 × 0.07 mm |
V = 915.6 (3) Å3 |
SMART CCD diffractometer | 5381 independent reflections |
Radiation source: rotating anode | 4450 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.028 |
ω scans | θmax = 31.7°, θmin = 2.0° |
Absorption correction: multi-scan | h = −13→10 |
Tmin = 0.385, Tmax = 0.660 | k = −13→11 |
7759 measured reflections | l = −13→17 |
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)] = 0.039 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.098 | Riding model |
S = 0.92 | Calculated w = 1/[σ2(Fo2) + (0.0557P)2] where P = (Fo2 + 2Fc2)/3 |
5381 reflections | (Δ/σ)max = 0.001 |
205 parameters | Δρmax = 1.04 e Å−3 |
0 restraints | Δρmin = −2.01 e Å−3 |
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 | ||
Pt | 0.0000 | 0.0000 | 0.0000 | 0.03061 (8) | |
As1 | 0.00732 (5) | 0.00983 (5) | 0.20603 (4) | 0.03185 (10) | |
Cl1 | 0.21106 (14) | 0.22005 (14) | 0.09831 (12) | 0.0461 (3) | |
Cl3 | 0.4442 (3) | −0.2923 (3) | 0.0902 (2) | 0.1072 (7) | |
C111 | −0.1572 (5) | 0.0854 (5) | 0.2469 (4) | 0.0362 (9) | |
C112 | −0.1527 (7) | 0.1352 (7) | 0.3720 (5) | 0.0537 (13) | |
H112 | −0.0675 | 0.1358 | 0.4383 | 0.064* | |
C113 | −0.2747 (8) | 0.1841 (7) | 0.3981 (6) | 0.0623 (16) | |
H113 | −0.2726 | 0.2154 | 0.4815 | 0.075* | |
C114 | −0.4002 (7) | 0.1862 (6) | 0.2995 (6) | 0.0551 (13) | |
H114 | −0.4840 | 0.2158 | 0.3160 | 0.066* | |
C115 | −0.4001 (6) | 0.1444 (7) | 0.1771 (6) | 0.0553 (13) | |
H115 | −0.4822 | 0.1495 | 0.1118 | 0.066* | |
C116 | −0.2787 (6) | 0.0949 (6) | 0.1510 (5) | 0.0462 (11) | |
H116 | −0.2790 | 0.0678 | 0.0684 | 0.055* | |
C121 | −0.0156 (5) | −0.1910 (5) | 0.2143 (4) | 0.0371 (9) | |
C122 | 0.0674 (8) | −0.2830 (6) | 0.1635 (6) | 0.0572 (14) | |
H122 | 0.1285 | −0.2491 | 0.1243 | 0.069* | |
C123 | 0.0607 (9) | −0.4252 (7) | 0.1701 (7) | 0.0711 (19) | |
H123 | 0.1195 | −0.4856 | 0.1382 | 0.085* | |
C124 | −0.0333 (10) | −0.4764 (7) | 0.2240 (7) | 0.078 (2) | |
H124 | −0.0403 | −0.5736 | 0.2262 | 0.093* | |
C125 | −0.1173 (8) | −0.3866 (8) | 0.2750 (7) | 0.0706 (18) | |
H125 | −0.1792 | −0.4219 | 0.3131 | 0.085* | |
C126 | −0.1096 (6) | −0.2424 (6) | 0.2695 (5) | 0.0500 (12) | |
H126 | −0.1672 | −0.1813 | 0.3027 | 0.060* | |
C131 | 0.1922 (5) | 0.1406 (5) | 0.3632 (4) | 0.0377 (9) | |
C132 | 0.2853 (6) | 0.0776 (7) | 0.4343 (5) | 0.0513 (12) | |
H132 | 0.2619 | −0.0297 | 0.4065 | 0.062* | |
C133 | 0.4149 (7) | 0.1737 (8) | 0.5482 (6) | 0.0637 (16) | |
H133 | 0.4779 | 0.1306 | 0.5959 | 0.076* | |
C134 | 0.4487 (7) | 0.3312 (8) | 0.5889 (6) | 0.0646 (16) | |
H134 | 0.5351 | 0.3958 | 0.6644 | 0.078* | |
C135 | 0.3551 (8) | 0.3938 (7) | 0.5185 (6) | 0.0672 (17) | |
H135 | 0.3781 | 0.5011 | 0.5469 | 0.081* | |
C136 | 0.2276 (7) | 0.2999 (6) | 0.4064 (6) | 0.0554 (13) | |
H136 | 0.1649 | 0.3439 | 0.3595 | 0.067* | |
C1 | 0.4678 (12) | −0.5151 (18) | 0.0325 (11) | 0.186 (7) | |
H1A | 0.5343 | −0.5354 | 0.1023 | 0.223* | |
H1B | 0.3689 | −0.5964 | −0.0172 | 0.223* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt | 0.03381 (12) | 0.03787 (13) | 0.03122 (12) | 0.01691 (9) | 0.01814 (9) | 0.01917 (9) |
As1 | 0.0362 (2) | 0.0386 (2) | 0.0309 (2) | 0.01759 (18) | 0.01790 (18) | 0.01883 (18) |
Cl1 | 0.0467 (6) | 0.0477 (6) | 0.0448 (6) | 0.0089 (5) | 0.0194 (5) | 0.0206 (5) |
Cl3 | 0.126 (2) | 0.1150 (17) | 0.0863 (15) | 0.0360 (15) | 0.0443 (14) | 0.0451 (13) |
C111 | 0.040 (2) | 0.039 (2) | 0.041 (2) | 0.0209 (18) | 0.0240 (19) | 0.0180 (18) |
C112 | 0.056 (3) | 0.079 (4) | 0.040 (3) | 0.037 (3) | 0.026 (2) | 0.028 (3) |
C113 | 0.076 (4) | 0.080 (4) | 0.059 (3) | 0.046 (3) | 0.047 (3) | 0.032 (3) |
C114 | 0.053 (3) | 0.056 (3) | 0.065 (4) | 0.027 (3) | 0.034 (3) | 0.021 (3) |
C115 | 0.043 (3) | 0.067 (3) | 0.055 (3) | 0.026 (3) | 0.016 (2) | 0.021 (3) |
C116 | 0.043 (2) | 0.058 (3) | 0.034 (2) | 0.023 (2) | 0.012 (2) | 0.013 (2) |
C121 | 0.042 (2) | 0.037 (2) | 0.035 (2) | 0.0152 (18) | 0.0135 (18) | 0.0183 (18) |
C122 | 0.074 (4) | 0.055 (3) | 0.060 (3) | 0.037 (3) | 0.036 (3) | 0.029 (3) |
C123 | 0.089 (5) | 0.055 (3) | 0.067 (4) | 0.040 (3) | 0.019 (4) | 0.026 (3) |
C124 | 0.099 (5) | 0.049 (3) | 0.073 (4) | 0.018 (3) | 0.007 (4) | 0.036 (3) |
C125 | 0.081 (5) | 0.069 (4) | 0.076 (4) | 0.012 (3) | 0.028 (4) | 0.051 (4) |
C126 | 0.054 (3) | 0.055 (3) | 0.052 (3) | 0.017 (2) | 0.024 (2) | 0.030 (2) |
C131 | 0.039 (2) | 0.044 (2) | 0.032 (2) | 0.0130 (19) | 0.0173 (18) | 0.0141 (18) |
C132 | 0.046 (3) | 0.058 (3) | 0.046 (3) | 0.021 (2) | 0.012 (2) | 0.020 (2) |
C133 | 0.050 (3) | 0.089 (5) | 0.047 (3) | 0.025 (3) | 0.009 (3) | 0.030 (3) |
C134 | 0.050 (3) | 0.078 (4) | 0.047 (3) | 0.001 (3) | 0.017 (3) | 0.012 (3) |
C135 | 0.072 (4) | 0.050 (3) | 0.060 (4) | 0.000 (3) | 0.022 (3) | 0.010 (3) |
C136 | 0.063 (3) | 0.050 (3) | 0.055 (3) | 0.020 (3) | 0.021 (3) | 0.025 (3) |
C1 | 0.107 (8) | 0.298 (17) | 0.107 (8) | −0.075 (9) | −0.005 (6) | 0.131 (10) |
Pt—Cl1i | 2.3086 (17) | C121—C122 | 1.376 (7) |
Pt—Cl1 | 2.3086 (17) | C121—C126 | 1.380 (7) |
Pt—As1i | 2.4068 (6) | C122—C123 | 1.380 (8) |
Pt—As1 | 2.4068 (6) | C123—C124 | 1.366 (11) |
As1—C111 | 1.929 (4) | C124—C125 | 1.373 (10) |
As1—C121 | 1.936 (4) | C125—C126 | 1.392 (8) |
As1—C131 | 1.952 (5) | C131—C132 | 1.373 (7) |
Cl3—C1 | 2.074 (18) | C131—C136 | 1.378 (7) |
C111—C116 | 1.379 (6) | C132—C133 | 1.397 (8) |
C111—C112 | 1.390 (7) | C133—C134 | 1.365 (9) |
C112—C113 | 1.384 (7) | C134—C135 | 1.367 (9) |
C113—C114 | 1.389 (8) | C135—C136 | 1.374 (8) |
C114—C115 | 1.378 (8) | C1—C1ii | 1.201 (18) |
C115—C116 | 1.381 (7) | ||
Cl1i—Pt—Cl1 | 180.0 | C111—C116—C115 | 120.3 (5) |
Cl1i—Pt—As1i | 91.69 (5) | C122—C121—C126 | 120.0 (5) |
Cl1—Pt—As1i | 88.31 (5) | C122—C121—As1 | 117.5 (4) |
Cl1i—Pt—As1 | 88.31 (5) | C126—C121—As1 | 122.5 (4) |
Cl1—Pt—As1 | 91.69 (5) | C121—C122—C123 | 120.4 (6) |
As1i—Pt—As1 | 180.0 | C124—C123—C122 | 119.5 (7) |
C111—As1—C121 | 106.49 (19) | C123—C124—C125 | 121.0 (6) |
C111—As1—C131 | 102.01 (19) | C124—C125—C126 | 119.7 (6) |
C121—As1—C131 | 102.07 (19) | C121—C126—C125 | 119.4 (6) |
C111—As1—Pt | 112.02 (14) | C132—C131—C136 | 119.1 (5) |
C121—As1—Pt | 112.99 (14) | C132—C131—As1 | 121.5 (4) |
C131—As1—Pt | 119.83 (13) | C136—C131—As1 | 119.4 (4) |
C116—C111—C112 | 119.5 (4) | C131—C132—C133 | 120.4 (5) |
C116—C111—As1 | 119.3 (3) | C134—C133—C132 | 119.7 (6) |
C112—C111—As1 | 121.2 (4) | C133—C134—C135 | 119.9 (5) |
C113—C112—C111 | 120.1 (5) | C134—C135—C136 | 120.8 (6) |
C112—C113—C114 | 119.8 (5) | C135—C136—C131 | 120.2 (5) |
C115—C114—C113 | 119.7 (5) | C1ii—C1—Cl3 | 88.5 (16) |
C114—C115—C116 | 120.3 (5) |
Symmetry codes: (i) −x, −y, −z; (ii) −x+1, −y−1, −z. |
[PtCl2(As(C6H5)3)2].1/2C6H6 | F(000) = 1780 |
Mr = 917.48 | Dx = 1.718 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 8150 reflections |
a = 11.778 (2) Å | θ = 2–30° |
b = 18.712 (4) Å | µ = 5.98 mm−1 |
c = 16.647 (3) Å | T = 293 K |
β = 104.78 (3)° | Cube, yellow |
V = 3547.3 (12) Å3 | 0.27 × 0.27 × 0.25 mm |
Z = 4 |
SMART CCD diffractometer | 10893 independent reflections |
Radiation source: rotating anode | 8597 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.031 |
ω scans | θmax = 31.7°, θmin = 1.7° |
Absorption correction: multi-scan | h = −16→17 |
Tmin = 0.295, Tmax = 0.316 | k = −27→20 |
29416 measured reflections | l = −24→22 |
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)] = 0.030 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.065 | Riding model |
S = 1.06 | Calculated w = 1/[σ2(Fo2) + (0.0207P)2 + 1.6655P] where P = (Fo2 + 2Fc2)/3 |
10893 reflections | (Δ/σ)max = 0.004 |
397 parameters | Δρmax = 0.71 e Å−3 |
0 restraints | Δρmin = −0.98 e Å−3 |
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 | ||
Pt | 0.953308 (9) | 0.171626 (6) | 0.702446 (7) | 0.03043 (4) | |
As1 | 0.74731 (2) | 0.164150 (14) | 0.697130 (18) | 0.03049 (6) | |
As2 | 1.15599 (3) | 0.182262 (16) | 0.699956 (19) | 0.03425 (7) | |
Cl1 | 0.97985 (7) | 0.05019 (4) | 0.71652 (6) | 0.0521 (2) | |
Cl2 | 0.92541 (7) | 0.29203 (4) | 0.68549 (6) | 0.04828 (19) | |
C111 | 0.6551 (3) | 0.16163 (16) | 0.58269 (18) | 0.0369 (6) | |
C112 | 0.5555 (3) | 0.1207 (2) | 0.5584 (2) | 0.0522 (9) | |
H112 | 0.5302 | 0.0935 | 0.5973 | 0.063* | |
C113 | 0.4925 (3) | 0.1203 (2) | 0.4757 (3) | 0.0648 (11) | |
H113 | 0.4258 | 0.0919 | 0.4592 | 0.078* | |
C114 | 0.5273 (4) | 0.1608 (2) | 0.4183 (2) | 0.0657 (11) | |
H114 | 0.4844 | 0.1603 | 0.3631 | 0.079* | |
C115 | 0.6262 (4) | 0.2023 (3) | 0.4428 (2) | 0.0686 (12) | |
H115 | 0.6495 | 0.2307 | 0.4040 | 0.082* | |
C116 | 0.6918 (4) | 0.2022 (2) | 0.5250 (2) | 0.0557 (9) | |
H116 | 0.7600 | 0.2293 | 0.5410 | 0.067* | |
C121 | 0.6853 (3) | 0.24601 (15) | 0.74276 (19) | 0.0356 (6) | |
C122 | 0.7398 (3) | 0.26764 (17) | 0.8233 (2) | 0.0440 (7) | |
H122 | 0.8064 | 0.2438 | 0.8534 | 0.053* | |
C123 | 0.6954 (4) | 0.32425 (19) | 0.8587 (2) | 0.0552 (9) | |
H123 | 0.7307 | 0.3376 | 0.9131 | 0.066* | |
C124 | 0.5975 (4) | 0.36169 (19) | 0.8129 (3) | 0.0598 (10) | |
H124 | 0.5680 | 0.4002 | 0.8365 | 0.072* | |
C125 | 0.5458 (4) | 0.3413 (2) | 0.7333 (3) | 0.0638 (11) | |
H125 | 0.4810 | 0.3664 | 0.7025 | 0.077* | |
C126 | 0.5886 (3) | 0.28337 (19) | 0.6976 (2) | 0.0500 (8) | |
H126 | 0.5523 | 0.2698 | 0.6434 | 0.060* | |
C131 | 0.6851 (2) | 0.08558 (15) | 0.74835 (18) | 0.0332 (6) | |
C132 | 0.6261 (3) | 0.09777 (17) | 0.8092 (2) | 0.0455 (8) | |
H132 | 0.6162 | 0.1442 | 0.8260 | 0.055* | |
C133 | 0.5821 (3) | 0.0411 (2) | 0.8449 (2) | 0.0572 (10) | |
H133 | 0.5414 | 0.0496 | 0.8850 | 0.069* | |
C134 | 0.5981 (3) | −0.02756 (19) | 0.8216 (2) | 0.0549 (9) | |
H134 | 0.5704 | −0.0656 | 0.8472 | 0.066* | |
C135 | 0.6554 (3) | −0.04041 (17) | 0.7602 (2) | 0.0473 (8) | |
H135 | 0.6643 | −0.0870 | 0.7435 | 0.057* | |
C136 | 0.6994 (3) | 0.01567 (16) | 0.7237 (2) | 0.0407 (7) | |
H136 | 0.7386 | 0.0069 | 0.6828 | 0.049* | |
C211 | 1.2650 (3) | 0.17434 (17) | 0.80859 (19) | 0.0390 (7) | |
C212 | 1.2407 (3) | 0.1258 (2) | 0.8645 (2) | 0.0511 (8) | |
H212 | 1.1739 | 0.0973 | 0.8496 | 0.061* | |
C213 | 1.3172 (4) | 0.1197 (3) | 0.9438 (2) | 0.0649 (11) | |
H213 | 1.3013 | 0.0871 | 0.9817 | 0.078* | |
C214 | 1.4155 (3) | 0.1618 (2) | 0.9656 (2) | 0.0624 (11) | |
H214 | 1.4661 | 0.1577 | 1.0184 | 0.075* | |
C215 | 1.4398 (3) | 0.2098 (2) | 0.9102 (2) | 0.0614 (10) | |
H215 | 1.5065 | 0.2383 | 0.9254 | 0.074* | |
C216 | 1.3650 (3) | 0.2161 (2) | 0.8313 (2) | 0.0525 (9) | |
H216 | 1.3820 | 0.2485 | 0.7936 | 0.063* | |
C221 | 1.2018 (3) | 0.10654 (17) | 0.63556 (19) | 0.0398 (7) | |
C222 | 1.1259 (3) | 0.08838 (19) | 0.5603 (2) | 0.0502 (8) | |
H222 | 1.0572 | 0.1143 | 0.5402 | 0.060* | |
C223 | 1.1526 (4) | 0.0313 (2) | 0.5149 (2) | 0.0608 (10) | |
H223 | 1.1024 | 0.0194 | 0.4639 | 0.073* | |
C224 | 1.2534 (4) | −0.0073 (2) | 0.5458 (3) | 0.0709 (12) | |
H224 | 1.2707 | −0.0462 | 0.5162 | 0.085* | |
C225 | 1.3284 (4) | 0.0112 (2) | 0.6200 (3) | 0.0747 (13) | |
H225 | 1.3972 | −0.0147 | 0.6402 | 0.090* | |
C226 | 1.3029 (3) | 0.0677 (2) | 0.6650 (2) | 0.0557 (9) | |
H226 | 1.3542 | 0.0797 | 0.7155 | 0.067* | |
C231 | 1.2035 (3) | 0.26967 (17) | 0.6542 (2) | 0.0429 (7) | |
C232 | 1.2394 (4) | 0.2688 (2) | 0.5824 (2) | 0.0604 (10) | |
H232 | 1.2450 | 0.2256 | 0.5561 | 0.072* | |
C233 | 1.2680 (5) | 0.3327 (3) | 0.5483 (3) | 0.0825 (15) | |
H233 | 1.2914 | 0.3320 | 0.4990 | 0.099* | |
C234 | 1.2614 (4) | 0.3966 (3) | 0.5878 (3) | 0.0818 (15) | |
H234 | 1.2805 | 0.4390 | 0.5653 | 0.098* | |
C235 | 1.2270 (4) | 0.3975 (2) | 0.6592 (3) | 0.0740 (13) | |
H235 | 1.2232 | 0.4407 | 0.6860 | 0.089* | |
C236 | 1.1973 (3) | 0.33445 (19) | 0.6931 (3) | 0.0578 (10) | |
H236 | 1.1731 | 0.3358 | 0.7421 | 0.069* | |
C1 | 1.0577 (10) | 0.0604 (8) | 1.0286 (10) | 0.154 (4) | |
H1 | 1.0966 | 0.1024 | 1.0493 | 0.184* | |
C2 | 0.9907 (12) | 0.0571 (8) | 0.9497 (9) | 0.152 (4) | |
H2 | 0.9852 | 0.0959 | 0.9141 | 0.182* | |
C3 | 0.9329 (7) | −0.0031 (10) | 0.9241 (5) | 0.142 (4) | |
H3 | 0.8838 | −0.0048 | 0.8707 | 0.171* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt | 0.03161 (6) | 0.02641 (5) | 0.03407 (6) | −0.00062 (4) | 0.00981 (4) | −0.00095 (4) |
As1 | 0.03134 (14) | 0.02788 (13) | 0.03266 (14) | −0.00070 (11) | 0.00892 (11) | 0.00010 (11) |
As2 | 0.03230 (15) | 0.03296 (15) | 0.03844 (16) | −0.00131 (11) | 0.01078 (12) | −0.00270 (12) |
Cl1 | 0.0482 (5) | 0.0288 (3) | 0.0825 (6) | 0.0003 (3) | 0.0227 (4) | 0.0043 (4) |
Cl2 | 0.0489 (4) | 0.0281 (3) | 0.0731 (6) | 0.0017 (3) | 0.0254 (4) | 0.0035 (4) |
C111 | 0.0410 (16) | 0.0363 (15) | 0.0326 (15) | 0.0034 (12) | 0.0077 (12) | −0.0019 (12) |
C112 | 0.0408 (18) | 0.065 (2) | 0.0474 (19) | −0.0064 (16) | 0.0047 (15) | 0.0037 (17) |
C113 | 0.051 (2) | 0.072 (3) | 0.061 (2) | −0.004 (2) | −0.0048 (19) | 0.002 (2) |
C114 | 0.076 (3) | 0.070 (3) | 0.040 (2) | 0.005 (2) | −0.0059 (19) | −0.0008 (19) |
C115 | 0.089 (3) | 0.075 (3) | 0.039 (2) | −0.010 (2) | 0.011 (2) | 0.0113 (19) |
C116 | 0.072 (2) | 0.054 (2) | 0.0378 (18) | −0.0189 (19) | 0.0083 (17) | 0.0044 (16) |
C121 | 0.0369 (15) | 0.0302 (14) | 0.0431 (16) | −0.0023 (12) | 0.0168 (13) | −0.0010 (12) |
C122 | 0.0453 (18) | 0.0400 (17) | 0.0466 (18) | −0.0045 (14) | 0.0118 (15) | −0.0036 (14) |
C123 | 0.070 (2) | 0.048 (2) | 0.055 (2) | −0.0132 (18) | 0.0289 (19) | −0.0166 (17) |
C124 | 0.072 (3) | 0.0387 (18) | 0.082 (3) | 0.0021 (18) | 0.044 (2) | −0.0111 (19) |
C125 | 0.056 (2) | 0.051 (2) | 0.086 (3) | 0.0221 (18) | 0.020 (2) | 0.004 (2) |
C126 | 0.0467 (19) | 0.0476 (19) | 0.053 (2) | 0.0106 (15) | 0.0087 (16) | −0.0019 (16) |
C131 | 0.0316 (14) | 0.0316 (14) | 0.0357 (15) | −0.0030 (11) | 0.0071 (11) | 0.0025 (12) |
C132 | 0.057 (2) | 0.0315 (15) | 0.056 (2) | −0.0008 (14) | 0.0278 (17) | −0.0006 (14) |
C133 | 0.073 (3) | 0.0449 (19) | 0.068 (2) | −0.0049 (18) | 0.043 (2) | 0.0015 (18) |
C134 | 0.063 (2) | 0.0390 (18) | 0.068 (2) | −0.0054 (16) | 0.0264 (19) | 0.0099 (17) |
C135 | 0.0517 (19) | 0.0300 (15) | 0.062 (2) | −0.0042 (14) | 0.0169 (17) | −0.0034 (15) |
C136 | 0.0413 (16) | 0.0353 (15) | 0.0480 (18) | −0.0037 (13) | 0.0157 (14) | −0.0059 (14) |
C211 | 0.0358 (15) | 0.0441 (17) | 0.0384 (16) | 0.0016 (13) | 0.0120 (13) | −0.0065 (14) |
C212 | 0.0457 (19) | 0.055 (2) | 0.051 (2) | −0.0051 (16) | 0.0099 (16) | 0.0047 (17) |
C213 | 0.064 (3) | 0.083 (3) | 0.048 (2) | 0.001 (2) | 0.0137 (19) | 0.013 (2) |
C214 | 0.053 (2) | 0.090 (3) | 0.0408 (19) | 0.007 (2) | 0.0049 (17) | −0.008 (2) |
C215 | 0.048 (2) | 0.082 (3) | 0.050 (2) | −0.006 (2) | 0.0040 (17) | −0.012 (2) |
C216 | 0.0464 (19) | 0.062 (2) | 0.049 (2) | −0.0111 (17) | 0.0131 (16) | −0.0065 (17) |
C221 | 0.0386 (16) | 0.0392 (16) | 0.0447 (17) | −0.0015 (13) | 0.0163 (14) | −0.0045 (14) |
C222 | 0.055 (2) | 0.048 (2) | 0.0471 (19) | −0.0027 (16) | 0.0122 (16) | −0.0026 (16) |
C223 | 0.081 (3) | 0.060 (2) | 0.046 (2) | −0.017 (2) | 0.0243 (19) | −0.0166 (18) |
C224 | 0.085 (3) | 0.055 (2) | 0.084 (3) | 0.000 (2) | 0.042 (3) | −0.024 (2) |
C225 | 0.065 (3) | 0.066 (3) | 0.096 (3) | 0.020 (2) | 0.026 (2) | −0.021 (3) |
C226 | 0.0440 (19) | 0.059 (2) | 0.064 (2) | 0.0046 (17) | 0.0139 (17) | −0.0133 (19) |
C231 | 0.0325 (16) | 0.0413 (17) | 0.0521 (19) | −0.0055 (13) | 0.0058 (14) | 0.0017 (15) |
C232 | 0.071 (3) | 0.062 (2) | 0.050 (2) | −0.018 (2) | 0.0170 (19) | 0.0022 (18) |
C233 | 0.093 (4) | 0.093 (4) | 0.063 (3) | −0.026 (3) | 0.022 (2) | 0.022 (3) |
C234 | 0.071 (3) | 0.066 (3) | 0.102 (4) | −0.014 (2) | 0.010 (3) | 0.035 (3) |
C235 | 0.059 (3) | 0.043 (2) | 0.119 (4) | −0.0068 (18) | 0.021 (3) | 0.005 (2) |
C236 | 0.050 (2) | 0.0429 (19) | 0.084 (3) | −0.0044 (16) | 0.025 (2) | 0.0015 (19) |
C1 | 0.130 (7) | 0.213 (12) | 0.149 (8) | −0.036 (7) | 0.090 (7) | −0.059 (8) |
C2 | 0.139 (8) | 0.213 (12) | 0.135 (9) | 0.070 (7) | 0.094 (7) | 0.062 (7) |
C3 | 0.073 (4) | 0.285 (15) | 0.061 (4) | 0.016 (6) | 0.003 (3) | 0.008 (7) |
Pt—Cl2 | 2.2839 (9) | C133—C134 | 1.368 (5) |
Pt—Cl1 | 2.2975 (9) | C134—C135 | 1.382 (5) |
Pt—As2 | 2.4063 (6) | C135—C136 | 1.378 (4) |
Pt—As1 | 2.4092 (6) | C211—C212 | 1.382 (5) |
As1—C121 | 1.934 (3) | C211—C216 | 1.383 (5) |
As1—C131 | 1.935 (3) | C212—C213 | 1.400 (5) |
As1—C111 | 1.938 (3) | C213—C214 | 1.371 (6) |
As2—C221 | 1.935 (3) | C214—C215 | 1.370 (6) |
As2—C211 | 1.938 (3) | C215—C216 | 1.386 (5) |
As2—C231 | 1.946 (3) | C221—C226 | 1.374 (5) |
C111—C112 | 1.373 (5) | C221—C222 | 1.382 (5) |
C111—C116 | 1.376 (4) | C222—C223 | 1.389 (5) |
C112—C113 | 1.388 (5) | C223—C224 | 1.373 (6) |
C113—C114 | 1.361 (6) | C224—C225 | 1.367 (6) |
C114—C115 | 1.373 (6) | C225—C226 | 1.372 (5) |
C115—C116 | 1.389 (5) | C231—C232 | 1.366 (5) |
C121—C126 | 1.383 (4) | C231—C236 | 1.385 (5) |
C121—C122 | 1.391 (4) | C232—C233 | 1.402 (6) |
C122—C123 | 1.378 (5) | C233—C234 | 1.375 (7) |
C123—C124 | 1.397 (6) | C234—C235 | 1.351 (7) |
C124—C125 | 1.365 (6) | C235—C236 | 1.391 (5) |
C125—C126 | 1.391 (5) | C1—C3i | 1.318 (13) |
C131—C132 | 1.385 (4) | C1—C2 | 1.350 (11) |
C131—C136 | 1.394 (4) | C2—C3 | 1.327 (13) |
C132—C133 | 1.380 (4) | C3—C1i | 1.318 (13) |
Cl2—Pt—Cl1 | 178.79 (3) | C132—C131—As1 | 120.9 (2) |
Cl2—Pt—As2 | 91.62 (2) | C136—C131—As1 | 119.7 (2) |
Cl1—Pt—As2 | 88.50 (2) | C133—C132—C131 | 120.1 (3) |
Cl2—Pt—As1 | 86.62 (2) | C134—C133—C132 | 120.4 (3) |
Cl1—Pt—As1 | 93.20 (2) | C133—C134—C135 | 120.0 (3) |
As2—Pt—As1 | 176.692 (11) | C136—C135—C134 | 120.2 (3) |
C121—As1—C131 | 101.85 (12) | C135—C136—C131 | 119.8 (3) |
C121—As1—C111 | 103.44 (13) | C212—C211—C216 | 119.6 (3) |
C131—As1—C111 | 103.57 (12) | C212—C211—As2 | 118.5 (2) |
C121—As1—Pt | 114.68 (9) | C216—C211—As2 | 121.8 (3) |
C131—As1—Pt | 121.26 (9) | C211—C212—C213 | 119.7 (3) |
C111—As1—Pt | 110.11 (10) | C214—C213—C212 | 120.0 (4) |
C221—As2—C211 | 104.43 (13) | C215—C214—C213 | 120.4 (4) |
C221—As2—C231 | 104.48 (14) | C214—C215—C216 | 120.1 (4) |
C211—As2—C231 | 103.96 (13) | C211—C216—C215 | 120.2 (4) |
C221—As2—Pt | 111.53 (9) | C226—C221—C222 | 119.6 (3) |
C211—As2—Pt | 113.66 (9) | C226—C221—As2 | 121.9 (3) |
C231—As2—Pt | 117.53 (9) | C222—C221—As2 | 118.3 (2) |
C112—C111—C116 | 119.9 (3) | C221—C222—C223 | 119.9 (4) |
C112—C111—As1 | 121.7 (2) | C224—C223—C222 | 119.7 (4) |
C116—C111—As1 | 118.4 (2) | C225—C224—C223 | 120.1 (4) |
C111—C112—C113 | 119.7 (4) | C224—C225—C226 | 120.5 (4) |
C114—C113—C112 | 120.8 (4) | C225—C226—C221 | 120.3 (4) |
C113—C114—C115 | 119.4 (4) | C232—C231—C236 | 119.0 (3) |
C114—C115—C116 | 120.5 (4) | C232—C231—As2 | 121.1 (3) |
C111—C116—C115 | 119.6 (4) | C236—C231—As2 | 119.9 (3) |
C126—C121—C122 | 119.4 (3) | C231—C232—C233 | 120.3 (4) |
C126—C121—As1 | 121.8 (2) | C234—C233—C232 | 119.9 (5) |
C122—C121—As1 | 118.8 (2) | C235—C234—C233 | 119.9 (4) |
C123—C122—C121 | 120.2 (3) | C234—C235—C236 | 120.6 (4) |
C122—C123—C124 | 120.2 (3) | C231—C236—C235 | 120.3 (4) |
C125—C124—C123 | 119.4 (3) | C3i—C1—C2 | 118.8 (9) |
C124—C125—C126 | 120.8 (4) | C3—C2—C1 | 118.4 (9) |
C121—C126—C125 | 120.0 (3) | C1i—C3—C2 | 122.7 (8) |
C132—C131—C136 | 119.4 (3) |
Symmetry code: (i) −x+2, −y, −z+2. |