Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806040487/at2126sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806040487/at2126Isup2.hkl |
CCDC reference: 627297
Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SHELXTL (Bruker, 2000); program(s) used to solve structure: PATTY in DIRDIF92 (Beurskens et al., 1992); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97.
[Bi(C12H22O2PS2)3]·2CHCl3 | F(000) = 2680 |
Mr = 1327.87 | Dx = 1.583 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -P 2yn | Cell parameters from 3874 reflections |
a = 17.4376 (7) Å | θ = 2.2–20.1° |
b = 16.0715 (7) Å | µ = 3.80 mm−1 |
c = 20.6221 (8) Å | T = 223 K |
β = 105.390 (1)° | Plate, yellow |
V = 5572.1 (4) Å3 | 0.23 × 0.17 × 0.03 mm |
Z = 4 |
Bruker AXS SMART CCD area-detector diffractometer | 12799 independent reflections |
Radiation source: fine-focus sealed tube | 9075 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.073 |
φ and ω scans | θmax = 27.5°, θmin = 1.4° |
Absorption correction: multi-scan (SADABS, Bruker, 2000) | h = −22→21 |
Tmin = 0.535, Tmax = 1 | k = −20→20 |
39037 measured reflections | l = −26→20 |
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)] = 0.049 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.103 | H-atom parameters constrained |
S = 1.01 | w = 1/[σ2(Fo2) + (0.0375P)2] where P = (Fo2 + 2Fc2)/3 |
12799 reflections | (Δ/σ)max < 0.001 |
554 parameters | Δρmax = 1.83 e Å−3 |
0 restraints | Δρmin = −0.82 e Å−3 |
Experimental. 31P{1H} NMR: δ 94.4 p.p.m. MS: m/z = 795.0 {Bi[S2P(OC6H11)2]2}+. |
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 | Occ. (<1) | |
Bi | 0.093282 (12) | 0.094368 (13) | 0.095689 (10) | 0.02664 (7) | |
Cl1 | −0.23008 (14) | 0.00861 (17) | 0.32236 (12) | 0.0991 (8) | |
Cl2 | −0.10651 (16) | 0.09892 (16) | 0.41543 (14) | 0.1061 (9) | |
Cl3 | −0.09301 (14) | −0.07703 (14) | 0.39994 (12) | 0.0909 (7) | |
S1 | 0.22749 (9) | 0.03085 (9) | 0.18382 (7) | 0.0334 (3) | |
S2 | 0.16975 (9) | −0.01037 (9) | 0.02078 (7) | 0.0365 (3) | |
S3 | 0.05225 (9) | 0.17332 (9) | 0.19961 (7) | 0.0352 (3) | |
S4 | −0.01044 (9) | −0.01258 (10) | 0.14074 (7) | 0.0396 (4) | |
S5 | 0.16642 (8) | 0.23748 (9) | 0.07003 (7) | 0.0345 (3) | |
S6 | −0.01660 (9) | 0.18120 (9) | −0.00585 (7) | 0.0367 (3) | |
P1 | 0.25505 (8) | −0.02393 (9) | 0.10594 (7) | 0.0267 (3) | |
P2 | −0.01245 (8) | 0.07347 (9) | 0.20957 (7) | 0.0292 (3) | |
P3 | 0.06500 (8) | 0.26981 (9) | 0.00278 (6) | 0.0272 (3) | |
O1 | 0.3386 (2) | 0.0071 (2) | 0.09992 (19) | 0.0377 (9) | |
O2 | 0.2792 (2) | −0.1170 (2) | 0.12171 (18) | 0.0346 (9) | |
O3 | 0.0129 (2) | 0.0395 (3) | 0.28391 (17) | 0.0362 (9) | |
O4 | −0.0997 (2) | 0.0969 (3) | 0.20988 (18) | 0.0402 (10) | |
O5 | 0.0350 (2) | 0.3574 (2) | 0.01862 (17) | 0.0334 (9) | |
O6 | 0.0798 (2) | 0.2950 (2) | −0.06637 (17) | 0.0350 (9) | |
C1 | 0.3549 (3) | 0.0961 (4) | 0.0954 (3) | 0.0400 (14) | |
H1 | 0.3108 | 0.1286 | 0.1046 | 0.048* | |
C2 | 0.4299 (4) | 0.1150 (4) | 0.1477 (3) | 0.059 (2) | |
H2A | 0.4728 | 0.0793 | 0.1413 | 0.071* | |
H2B | 0.4226 | 0.1036 | 0.1924 | 0.071* | |
C3 | 0.4524 (5) | 0.2063 (5) | 0.1432 (4) | 0.085 (3) | |
H3A | 0.5033 | 0.2172 | 0.1761 | 0.102* | |
H3B | 0.4120 | 0.2416 | 0.1545 | 0.102* | |
C4 | 0.4592 (4) | 0.2287 (4) | 0.0740 (3) | 0.0581 (19) | |
H4A | 0.5040 | 0.1987 | 0.0646 | 0.070* | |
H4B | 0.4693 | 0.2885 | 0.0719 | 0.070* | |
C5 | 0.3833 (4) | 0.2064 (4) | 0.0218 (4) | 0.062 (2) | |
H5A | 0.3400 | 0.2418 | 0.0280 | 0.075* | |
H5B | 0.3900 | 0.2174 | −0.0231 | 0.075* | |
C6 | 0.3611 (4) | 0.1158 (4) | 0.0265 (3) | 0.0539 (18) | |
H6A | 0.3100 | 0.1046 | −0.0062 | 0.065* | |
H6B | 0.4015 | 0.0802 | 0.0155 | 0.065* | |
C7 | 0.2230 (3) | −0.1741 (3) | 0.1408 (2) | 0.0307 (12) | |
H7 | 0.1711 | −0.1458 | 0.1345 | 0.037* | |
C8 | 0.2561 (4) | −0.1964 (3) | 0.2145 (3) | 0.0383 (14) | |
H8A | 0.2599 | −0.1463 | 0.2422 | 0.046* | |
H8B | 0.3096 | −0.2199 | 0.2217 | 0.046* | |
C9 | 0.2019 (4) | −0.2594 (4) | 0.2348 (3) | 0.0456 (16) | |
H9A | 0.1499 | −0.2338 | 0.2314 | 0.055* | |
H9B | 0.2247 | −0.2757 | 0.2818 | 0.055* | |
C10 | 0.1909 (4) | −0.3369 (4) | 0.1901 (3) | 0.0452 (16) | |
H10A | 0.2421 | −0.3651 | 0.1960 | 0.054* | |
H10B | 0.1542 | −0.3756 | 0.2031 | 0.054* | |
C11 | 0.1581 (4) | −0.3120 (4) | 0.1174 (3) | 0.0424 (15) | |
H11A | 0.1054 | −0.2872 | 0.1113 | 0.051* | |
H11B | 0.1523 | −0.3616 | 0.0890 | 0.051* | |
C12 | 0.2124 (4) | −0.2500 (3) | 0.0958 (3) | 0.0363 (14) | |
H12A | 0.2642 | −0.2757 | 0.0989 | 0.044* | |
H12B | 0.1890 | −0.2335 | 0.0489 | 0.044* | |
C13 | 0.0956 (3) | 0.0231 (4) | 0.3206 (3) | 0.0355 (14) | |
H13 | 0.1315 | 0.0541 | 0.2992 | 0.043* | |
C14 | 0.1128 (4) | −0.0676 (4) | 0.3193 (3) | 0.058 (2) | |
H14A | 0.1070 | −0.0856 | 0.2728 | 0.070* | |
H14B | 0.0748 | −0.0990 | 0.3372 | 0.070* | |
C15 | 0.1969 (5) | −0.0850 (5) | 0.3612 (3) | 0.075 (3) | |
H15A | 0.2347 | −0.0572 | 0.3408 | 0.090* | |
H15B | 0.2071 | −0.1450 | 0.3612 | 0.090* | |
C16 | 0.2102 (4) | −0.0556 (4) | 0.4323 (3) | 0.0522 (18) | |
H16A | 0.1770 | −0.0882 | 0.4545 | 0.063* | |
H16B | 0.2659 | −0.0646 | 0.4568 | 0.063* | |
C17 | 0.1905 (4) | 0.0337 (4) | 0.4347 (3) | 0.0576 (19) | |
H17A | 0.2293 | 0.0667 | 0.4190 | 0.069* | |
H17B | 0.1946 | 0.0495 | 0.4814 | 0.069* | |
C18 | 0.1067 (4) | 0.0541 (4) | 0.3914 (3) | 0.0529 (18) | |
H18A | 0.0671 | 0.0281 | 0.4109 | 0.063* | |
H18B | 0.0984 | 0.1144 | 0.3907 | 0.063* | |
C19 | −0.1563 (3) | 0.1321 (4) | 0.1502 (3) | 0.0377 (14) | |
H19 | −0.1338 | 0.1277 | 0.1110 | 0.045* | |
C20 | −0.2316 (4) | 0.0827 (4) | 0.1372 (3) | 0.0569 (19) | |
H20A | −0.2504 | 0.0814 | 0.1779 | 0.068* | |
H20B | −0.2214 | 0.0254 | 0.1257 | 0.068* | |
C21 | −0.2958 (4) | 0.1215 (5) | 0.0792 (4) | 0.067 (2) | |
H21A | −0.2797 | 0.1164 | 0.0373 | 0.080* | |
H21B | −0.3459 | 0.0911 | 0.0736 | 0.080* | |
C22 | −0.3088 (4) | 0.2124 (5) | 0.0924 (3) | 0.059 (2) | |
H22A | −0.3308 | 0.2171 | 0.1313 | 0.071* | |
H22B | −0.3476 | 0.2362 | 0.0534 | 0.071* | |
C23 | −0.2320 (4) | 0.2612 (5) | 0.1057 (4) | 0.067 (2) | |
H23A | −0.2417 | 0.3190 | 0.1163 | 0.080* | |
H23B | −0.2126 | 0.2611 | 0.0652 | 0.080* | |
C24 | −0.1693 (4) | 0.2231 (4) | 0.1640 (3) | 0.060 (2) | |
H24A | −0.1192 | 0.2536 | 0.1705 | 0.072* | |
H24B | −0.1866 | 0.2279 | 0.2054 | 0.072* | |
C25 | 0.0102 (3) | 0.3765 (3) | 0.0798 (2) | 0.0300 (12) | |
H25 | −0.0011 | 0.3242 | 0.1008 | 0.036* | |
C26 | 0.0764 (4) | 0.4224 (4) | 0.1279 (3) | 0.0488 (17) | |
H26A | 0.0917 | 0.4709 | 0.1053 | 0.059* | |
H26B | 0.1229 | 0.3860 | 0.1421 | 0.059* | |
C27 | 0.0508 (4) | 0.4510 (4) | 0.1893 (3) | 0.0571 (19) | |
H27A | 0.0401 | 0.4023 | 0.2142 | 0.069* | |
H27B | 0.0939 | 0.4829 | 0.2191 | 0.069* | |
C28 | −0.0226 (4) | 0.5040 (4) | 0.1685 (3) | 0.0576 (19) | |
H28A | −0.0104 | 0.5550 | 0.1473 | 0.069* | |
H28B | −0.0395 | 0.5198 | 0.2085 | 0.069* | |
C29 | −0.0891 (4) | 0.4587 (5) | 0.1203 (3) | 0.0572 (19) | |
H29A | −0.1349 | 0.4961 | 0.1055 | 0.069* | |
H29B | −0.1056 | 0.4112 | 0.1433 | 0.069* | |
C30 | −0.0640 (4) | 0.4278 (4) | 0.0592 (3) | 0.0475 (17) | |
H30A | −0.1069 | 0.3943 | 0.0308 | 0.057* | |
H30B | −0.0547 | 0.4755 | 0.0327 | 0.057* | |
C31 | 0.1190 (3) | 0.2382 (3) | −0.1037 (3) | 0.0325 (13) | |
H31 | 0.1306 | 0.1845 | −0.0797 | 0.039* | |
C32 | 0.1948 (4) | 0.2791 (5) | −0.1067 (3) | 0.0566 (19) | |
H32A | 0.2296 | 0.2855 | −0.0610 | 0.068* | |
H32B | 0.1836 | 0.3346 | −0.1266 | 0.068* | |
C33 | 0.2373 (4) | 0.2259 (6) | −0.1494 (3) | 0.073 (3) | |
H33A | 0.2859 | 0.2542 | −0.1528 | 0.088* | |
H33B | 0.2525 | 0.1720 | −0.1275 | 0.088* | |
C34 | 0.1837 (4) | 0.2124 (4) | −0.2182 (3) | 0.0527 (18) | |
H34A | 0.2102 | 0.1761 | −0.2437 | 0.063* | |
H34B | 0.1732 | 0.2659 | −0.2417 | 0.063* | |
C35 | 0.1063 (4) | 0.1737 (4) | −0.2154 (3) | 0.0487 (17) | |
H35A | 0.1163 | 0.1176 | −0.1966 | 0.058* | |
H35B | 0.0715 | 0.1688 | −0.2612 | 0.058* | |
C36 | 0.0644 (4) | 0.2243 (4) | −0.1731 (3) | 0.0435 (15) | |
H36A | 0.0165 | 0.1949 | −0.1695 | 0.052* | |
H36B | 0.0482 | 0.2781 | −0.1948 | 0.052* | |
C37 | −0.1281 (4) | 0.0160 (5) | 0.3588 (4) | 0.064 (2) | |
H37 | −0.1011 | 0.0256 | 0.3229 | 0.076* | |
C38 | 0.4958 (5) | −0.1224 (5) | 0.1392 (4) | 0.071 (2) | 0.856 (5) |
H38 | 0.4554 | −0.0923 | 0.1559 | 0.085* | 0.856 (5) |
Cl4 | 0.4746 (2) | −0.1106 (3) | 0.05662 (14) | 0.168 (3) | 0.856 (5) |
Cl5 | 0.5038 (4) | −0.2183 (3) | 0.1697 (3) | 0.192 (3) | 0.856 (5) |
Cl6 | 0.5910 (2) | −0.0755 (3) | 0.1749 (3) | 0.165 (2) | 0.856 (5) |
C38A | 0.4958 (5) | −0.1224 (5) | 0.1392 (4) | 0.071 (2) | 0.144 (5) |
H38A | 0.4553 | −0.0930 | 0.1563 | 0.085* | 0.144 (5) |
Cl4A | 0.5495 (17) | −0.0605 (16) | 0.1121 (14) | 0.137 (10)* | 0.144 (5) |
Cl5A | 0.4525 (13) | −0.2121 (15) | 0.0843 (11) | 0.126 (9)* | 0.144 (5) |
Cl6A | 0.5559 (15) | −0.1651 (18) | 0.1941 (11) | 0.122 (8)* | 0.144 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Bi | 0.02537 (11) | 0.02854 (11) | 0.02907 (11) | 0.00645 (10) | 0.01259 (8) | 0.00804 (9) |
Cl1 | 0.0632 (15) | 0.123 (2) | 0.117 (2) | 0.0051 (14) | 0.0344 (13) | 0.0186 (16) |
Cl2 | 0.109 (2) | 0.0779 (17) | 0.141 (2) | 0.0090 (15) | 0.0490 (17) | −0.0308 (15) |
Cl3 | 0.0877 (17) | 0.0618 (14) | 0.133 (2) | 0.0139 (12) | 0.0461 (15) | 0.0245 (13) |
S1 | 0.0354 (8) | 0.0356 (8) | 0.0286 (7) | 0.0031 (7) | 0.0073 (6) | −0.0041 (6) |
S2 | 0.0397 (9) | 0.0394 (9) | 0.0279 (8) | 0.0007 (7) | 0.0045 (6) | −0.0029 (6) |
S3 | 0.0364 (8) | 0.0326 (8) | 0.0375 (8) | −0.0007 (7) | 0.0116 (7) | 0.0024 (6) |
S4 | 0.0394 (9) | 0.0375 (9) | 0.0446 (9) | −0.0057 (7) | 0.0157 (7) | −0.0036 (7) |
S5 | 0.0257 (7) | 0.0397 (9) | 0.0360 (8) | 0.0006 (6) | 0.0045 (6) | 0.0020 (6) |
S6 | 0.0305 (8) | 0.0371 (9) | 0.0380 (8) | −0.0041 (7) | 0.0012 (6) | 0.0055 (6) |
P1 | 0.0240 (7) | 0.0270 (8) | 0.0305 (8) | 0.0033 (6) | 0.0097 (6) | −0.0004 (6) |
P2 | 0.0242 (7) | 0.0368 (9) | 0.0288 (8) | 0.0034 (6) | 0.0108 (6) | 0.0052 (6) |
P3 | 0.0293 (8) | 0.0277 (8) | 0.0254 (7) | 0.0025 (6) | 0.0090 (6) | 0.0053 (6) |
O1 | 0.028 (2) | 0.030 (2) | 0.060 (3) | 0.0032 (18) | 0.0189 (19) | 0.0004 (18) |
O2 | 0.032 (2) | 0.025 (2) | 0.051 (2) | 0.0022 (17) | 0.0209 (18) | 0.0035 (17) |
O3 | 0.027 (2) | 0.052 (3) | 0.033 (2) | 0.0069 (19) | 0.0115 (17) | 0.0143 (18) |
O4 | 0.028 (2) | 0.062 (3) | 0.033 (2) | 0.010 (2) | 0.0117 (17) | 0.0090 (19) |
O5 | 0.041 (2) | 0.031 (2) | 0.030 (2) | 0.0098 (18) | 0.0124 (17) | 0.0039 (16) |
O6 | 0.052 (3) | 0.029 (2) | 0.029 (2) | 0.0068 (19) | 0.0192 (18) | 0.0093 (16) |
C1 | 0.032 (3) | 0.034 (3) | 0.057 (4) | 0.005 (3) | 0.019 (3) | 0.006 (3) |
C2 | 0.067 (5) | 0.057 (5) | 0.043 (4) | −0.023 (4) | −0.003 (3) | 0.001 (3) |
C3 | 0.097 (7) | 0.086 (7) | 0.073 (6) | −0.047 (6) | 0.026 (5) | −0.016 (5) |
C4 | 0.059 (5) | 0.046 (4) | 0.073 (5) | −0.027 (4) | 0.024 (4) | −0.006 (4) |
C5 | 0.062 (5) | 0.053 (5) | 0.077 (5) | −0.003 (4) | 0.025 (4) | 0.020 (4) |
C6 | 0.047 (4) | 0.059 (5) | 0.053 (4) | −0.018 (4) | 0.009 (3) | 0.009 (3) |
C7 | 0.031 (3) | 0.029 (3) | 0.031 (3) | 0.005 (3) | 0.008 (2) | 0.007 (2) |
C8 | 0.043 (4) | 0.029 (3) | 0.038 (3) | −0.002 (3) | 0.004 (3) | −0.003 (2) |
C9 | 0.058 (4) | 0.047 (4) | 0.030 (3) | 0.000 (3) | 0.008 (3) | 0.012 (3) |
C10 | 0.046 (4) | 0.037 (4) | 0.044 (4) | −0.005 (3) | −0.004 (3) | 0.010 (3) |
C11 | 0.051 (4) | 0.038 (4) | 0.033 (3) | −0.006 (3) | 0.002 (3) | 0.001 (3) |
C12 | 0.045 (4) | 0.037 (4) | 0.026 (3) | 0.007 (3) | 0.010 (3) | 0.003 (2) |
C13 | 0.024 (3) | 0.049 (4) | 0.034 (3) | 0.006 (3) | 0.008 (2) | 0.013 (3) |
C14 | 0.062 (5) | 0.059 (5) | 0.045 (4) | 0.028 (4) | 0.000 (3) | −0.010 (3) |
C15 | 0.072 (6) | 0.082 (6) | 0.060 (5) | 0.041 (5) | −0.002 (4) | −0.007 (4) |
C16 | 0.048 (4) | 0.062 (5) | 0.041 (4) | 0.009 (4) | 0.002 (3) | 0.015 (3) |
C17 | 0.054 (5) | 0.059 (5) | 0.048 (4) | 0.006 (4) | −0.007 (3) | −0.002 (3) |
C18 | 0.061 (5) | 0.049 (4) | 0.042 (4) | 0.016 (4) | 0.003 (3) | −0.006 (3) |
C19 | 0.028 (3) | 0.054 (4) | 0.031 (3) | 0.013 (3) | 0.007 (2) | 0.001 (3) |
C20 | 0.043 (4) | 0.057 (5) | 0.064 (5) | 0.000 (4) | 0.002 (3) | 0.001 (3) |
C21 | 0.048 (5) | 0.078 (6) | 0.061 (5) | 0.013 (4) | −0.007 (4) | −0.008 (4) |
C22 | 0.039 (4) | 0.088 (6) | 0.048 (4) | 0.021 (4) | 0.007 (3) | −0.006 (4) |
C23 | 0.051 (5) | 0.067 (5) | 0.078 (5) | 0.027 (4) | 0.009 (4) | 0.007 (4) |
C24 | 0.042 (4) | 0.066 (5) | 0.065 (5) | 0.012 (4) | 0.002 (3) | −0.003 (4) |
C25 | 0.038 (3) | 0.029 (3) | 0.025 (3) | 0.000 (3) | 0.014 (2) | 0.002 (2) |
C26 | 0.045 (4) | 0.049 (4) | 0.052 (4) | 0.003 (3) | 0.011 (3) | −0.015 (3) |
C27 | 0.064 (5) | 0.057 (5) | 0.046 (4) | −0.007 (4) | 0.006 (4) | −0.019 (3) |
C28 | 0.084 (6) | 0.046 (4) | 0.052 (4) | 0.004 (4) | 0.033 (4) | −0.010 (3) |
C29 | 0.052 (4) | 0.070 (5) | 0.057 (4) | 0.020 (4) | 0.027 (4) | −0.009 (4) |
C30 | 0.048 (4) | 0.058 (5) | 0.035 (3) | 0.014 (3) | 0.010 (3) | −0.002 (3) |
C31 | 0.042 (3) | 0.031 (3) | 0.031 (3) | 0.010 (3) | 0.020 (3) | 0.007 (2) |
C32 | 0.044 (4) | 0.087 (6) | 0.045 (4) | −0.015 (4) | 0.022 (3) | −0.020 (4) |
C33 | 0.046 (4) | 0.119 (7) | 0.064 (5) | −0.026 (5) | 0.032 (4) | −0.041 (5) |
C34 | 0.069 (5) | 0.050 (4) | 0.051 (4) | −0.011 (4) | 0.036 (4) | −0.006 (3) |
C35 | 0.052 (4) | 0.052 (4) | 0.042 (4) | −0.002 (3) | 0.012 (3) | −0.010 (3) |
C36 | 0.048 (4) | 0.041 (4) | 0.039 (4) | 0.005 (3) | 0.008 (3) | −0.006 (3) |
C37 | 0.057 (5) | 0.070 (5) | 0.079 (5) | 0.007 (4) | 0.046 (4) | 0.007 (4) |
C38 | 0.085 (6) | 0.075 (6) | 0.061 (5) | 0.031 (5) | 0.036 (4) | 0.021 (4) |
Cl4 | 0.155 (4) | 0.306 (6) | 0.0452 (17) | 0.141 (4) | 0.0328 (18) | 0.015 (2) |
Cl5 | 0.226 (6) | 0.101 (3) | 0.272 (6) | 0.020 (4) | 0.104 (5) | 0.097 (4) |
Cl6 | 0.087 (3) | 0.167 (4) | 0.227 (5) | 0.005 (3) | 0.017 (3) | −0.089 (4) |
C38A | 0.085 (6) | 0.075 (6) | 0.061 (5) | 0.031 (5) | 0.036 (4) | 0.021 (4) |
Bi—S1 | 2.7503 (14) | C16—C17 | 1.480 (9) |
Bi—S2 | 2.8445 (15) | C16—H16A | 0.9800 |
Bi—S3 | 2.7438 (14) | C16—H16B | 0.9800 |
Bi—S4 | 2.8251 (15) | C17—C18 | 1.533 (8) |
Bi—S5 | 2.7486 (15) | C17—H17A | 0.9800 |
Bi—S6 | 2.8060 (14) | C17—H17B | 0.9800 |
Cl1—C37 | 1.741 (7) | C18—H18A | 0.9800 |
Cl2—C37 | 1.745 (8) | C18—H18B | 0.9800 |
Cl3—C37 | 1.748 (7) | C19—C20 | 1.497 (9) |
S1—P1 | 1.9987 (19) | C19—C24 | 1.518 (9) |
S2—P1 | 1.9894 (19) | C19—H19 | 0.9900 |
S3—P2 | 2.003 (2) | C20—C21 | 1.537 (9) |
S4—P2 | 1.989 (2) | C20—H20A | 0.9800 |
S5—P3 | 2.0049 (19) | C20—H20B | 0.9800 |
S6—P3 | 1.988 (2) | C21—C22 | 1.514 (9) |
P1—O1 | 1.575 (4) | C21—H21A | 0.9800 |
P1—O2 | 1.565 (4) | C21—H21B | 0.9800 |
P2—O3 | 1.576 (4) | C22—C23 | 1.513 (9) |
P2—O4 | 1.570 (4) | C22—H22A | 0.9800 |
P3—O5 | 1.565 (4) | C22—H22B | 0.9800 |
P3—O6 | 1.568 (3) | C23—C24 | 1.522 (9) |
O1—C1 | 1.467 (7) | C23—H23A | 0.9800 |
O2—C7 | 1.471 (6) | C23—H23B | 0.9800 |
O3—C13 | 1.464 (6) | C24—H24A | 0.9800 |
O4—C19 | 1.470 (6) | C24—H24B | 0.9800 |
O5—C25 | 1.471 (6) | C25—C30 | 1.496 (8) |
O6—C31 | 1.474 (6) | C25—C26 | 1.502 (8) |
C1—C6 | 1.487 (8) | C25—H25 | 0.9900 |
C1—C2 | 1.489 (8) | C26—C27 | 1.521 (8) |
C1—H1 | 0.9900 | C26—H26A | 0.9800 |
C2—C3 | 1.527 (9) | C26—H26B | 0.9800 |
C2—H2A | 0.9800 | C27—C28 | 1.503 (9) |
C2—H2B | 0.9800 | C27—H27A | 0.9800 |
C3—C4 | 1.507 (9) | C27—H27B | 0.9800 |
C3—H3A | 0.9800 | C28—C29 | 1.501 (9) |
C3—H3B | 0.9800 | C28—H28A | 0.9800 |
C4—C5 | 1.509 (9) | C28—H28B | 0.9800 |
C4—H4A | 0.9800 | C29—C30 | 1.524 (8) |
C4—H4B | 0.9800 | C29—H29A | 0.9800 |
C5—C6 | 1.517 (9) | C29—H29B | 0.9800 |
C5—H5A | 0.9800 | C30—H30A | 0.9800 |
C5—H5B | 0.9800 | C30—H30B | 0.9800 |
C6—H6A | 0.9800 | C31—C32 | 1.493 (8) |
C6—H6B | 0.9800 | C31—C36 | 1.510 (7) |
C7—C12 | 1.514 (7) | C31—H31 | 0.9900 |
C7—C8 | 1.518 (7) | C32—C33 | 1.551 (9) |
C7—H7 | 0.9900 | C32—H32A | 0.9800 |
C8—C9 | 1.518 (8) | C32—H32B | 0.9800 |
C8—H8A | 0.9800 | C33—C34 | 1.493 (8) |
C8—H8B | 0.9800 | C33—H33A | 0.9800 |
C9—C10 | 1.531 (8) | C33—H33B | 0.9800 |
C9—H9A | 0.9800 | C34—C35 | 1.501 (8) |
C9—H9B | 0.9800 | C34—H34A | 0.9800 |
C10—C11 | 1.509 (7) | C34—H34B | 0.9800 |
C10—H10A | 0.9800 | C35—C36 | 1.514 (8) |
C10—H10B | 0.9800 | C35—H35A | 0.9800 |
C11—C12 | 1.520 (8) | C35—H35B | 0.9800 |
C11—H11A | 0.9800 | C36—H36A | 0.9800 |
C11—H11B | 0.9800 | C36—H36B | 0.9800 |
C12—H12A | 0.9800 | C37—H37 | 0.9900 |
C12—H12B | 0.9800 | C38—Cl5 | 1.657 (8) |
C13—C14 | 1.490 (8) | C38—Cl4 | 1.655 (7) |
C13—C18 | 1.505 (8) | C38—Cl6 | 1.794 (9) |
C13—H13 | 0.9900 | C38—H38 | 0.9900 |
C14—C15 | 1.517 (9) | C38A—Cl6A | 1.49 (2) |
C14—H14A | 0.9800 | C38A—Cl4A | 1.57 (3) |
C14—H14B | 0.9800 | C38A—Cl5A | 1.86 (2) |
C15—C16 | 1.498 (9) | C38A—H38A | 0.9900 |
C15—H15A | 0.9800 | Cl4A—Cl6A | 2.37 (4) |
C15—H15B | 0.9800 | ||
S1—Bi—S2 | 72.54 (4) | C16—C17—C18 | 112.5 (6) |
S1—Bi—S3 | 90.46 (4) | C16—C17—H17A | 109.1 |
S1—Bi—S4 | 93.65 (4) | C18—C17—H17A | 109.1 |
S1—Bi—S5 | 94.64 (4) | C16—C17—H17B | 109.1 |
S1—Bi—S6 | 166.04 (4) | C18—C17—H17B | 109.1 |
S2—Bi—S3 | 162.71 (4) | H17A—C17—H17B | 107.8 |
S2—Bi—S4 | 104.59 (5) | C13—C18—C17 | 110.6 (5) |
S2—Bi—S5 | 94.72 (4) | C13—C18—H18A | 109.5 |
S2—Bi—S6 | 102.40 (4) | C17—C18—H18A | 109.5 |
S3—Bi—S4 | 72.67 (4) | C13—C18—H18B | 109.5 |
S3—Bi—S5 | 89.65 (4) | C17—C18—H18B | 109.5 |
S3—Bi—S6 | 94.87 (4) | H18A—C18—H18B | 108.1 |
S4—Bi—S5 | 160.51 (4) | O4—C19—C20 | 107.9 (5) |
S4—Bi—S6 | 100.25 (4) | O4—C19—C24 | 108.3 (5) |
S5—Bi—S6 | 72.54 (4) | C20—C19—C24 | 112.1 (5) |
Bi—S1—P1 | 88.65 (6) | O4—C19—H19 | 109.5 |
Bi—S2—P1 | 86.21 (6) | C20—C19—H19 | 109.5 |
Bi—S3—P2 | 88.87 (6) | C24—C19—H19 | 109.5 |
Bi—S4—P2 | 86.89 (7) | C19—C20—C21 | 110.4 (6) |
Bi—S5—P3 | 88.90 (6) | C19—C20—H20A | 109.6 |
Bi—S6—P3 | 87.63 (6) | C21—C20—H20A | 109.6 |
O1—P1—O2 | 96.6 (2) | C19—C20—H20B | 109.6 |
O1—P1—S2 | 112.71 (16) | C21—C20—H20B | 109.6 |
O2—P1—S2 | 112.66 (16) | H20A—C20—H20B | 108.1 |
O1—P1—S1 | 110.41 (16) | C22—C21—C20 | 111.4 (6) |
O2—P1—S1 | 111.29 (16) | C22—C21—H21A | 109.4 |
S2—P1—S1 | 112.22 (9) | C20—C21—H21A | 109.4 |
O3—P2—O4 | 95.8 (2) | C22—C21—H21B | 109.4 |
O3—P2—S4 | 113.58 (17) | C20—C21—H21B | 109.4 |
O4—P2—S4 | 111.77 (17) | H21A—C21—H21B | 108.0 |
O3—P2—S3 | 110.90 (17) | C21—C22—C23 | 111.4 (6) |
O4—P2—S3 | 112.39 (18) | C21—C22—H22A | 109.4 |
S4—P2—S3 | 111.52 (9) | C23—C22—H22A | 109.4 |
O5—P3—O6 | 95.89 (19) | C21—C22—H22B | 109.4 |
O5—P3—S6 | 113.07 (16) | C23—C22—H22B | 109.4 |
O6—P3—S6 | 112.95 (16) | H22A—C22—H22B | 108.0 |
O5—P3—S5 | 111.76 (16) | C22—C23—C24 | 110.5 (6) |
O6—P3—S5 | 111.62 (16) | C22—C23—H23A | 109.5 |
S6—P3—S5 | 110.81 (9) | C24—C23—H23A | 109.5 |
C1—O1—P1 | 120.9 (3) | C22—C23—H23B | 109.5 |
C7—O2—P1 | 119.3 (3) | C24—C23—H23B | 109.5 |
C13—O3—P2 | 123.3 (3) | H23A—C23—H23B | 108.1 |
C19—O4—P2 | 121.6 (3) | C19—C24—C23 | 110.5 (6) |
C25—O5—P3 | 123.9 (3) | C19—C24—H24A | 109.5 |
C31—O6—P3 | 121.8 (3) | C23—C24—H24A | 109.5 |
C6—C1—O1 | 109.5 (5) | C19—C24—H24B | 109.5 |
C6—C1—C2 | 112.2 (5) | C23—C24—H24B | 109.5 |
O1—C1—C2 | 107.5 (5) | H24A—C24—H24B | 108.1 |
C6—C1—H1 | 109.2 | O5—C25—C30 | 107.5 (4) |
O1—C1—H1 | 109.2 | O5—C25—C26 | 108.6 (4) |
C2—C1—H1 | 109.2 | C30—C25—C26 | 111.9 (5) |
C1—C2—C3 | 110.0 (6) | O5—C25—H25 | 109.6 |
C1—C2—H2A | 109.7 | C30—C25—H25 | 109.6 |
C3—C2—H2A | 109.7 | C26—C25—H25 | 109.6 |
C1—C2—H2B | 109.7 | C25—C26—C27 | 110.7 (5) |
C3—C2—H2B | 109.7 | C25—C26—H26A | 109.5 |
H2A—C2—H2B | 108.2 | C27—C26—H26A | 109.5 |
C2—C3—C4 | 112.0 (6) | C25—C26—H26B | 109.5 |
C2—C3—H3A | 109.2 | C27—C26—H26B | 109.5 |
C4—C3—H3A | 109.2 | H26A—C26—H26B | 108.1 |
C2—C3—H3B | 109.2 | C28—C27—C26 | 110.5 (5) |
C4—C3—H3B | 109.2 | C28—C27—H27A | 109.6 |
H3A—C3—H3B | 107.9 | C26—C27—H27A | 109.6 |
C3—C4—C5 | 110.1 (6) | C28—C27—H27B | 109.6 |
C3—C4—H4A | 109.6 | C26—C27—H27B | 109.6 |
C5—C4—H4A | 109.6 | H27A—C27—H27B | 108.1 |
C3—C4—H4B | 109.6 | C27—C28—C29 | 111.4 (6) |
C5—C4—H4B | 109.6 | C27—C28—H28A | 109.3 |
H4A—C4—H4B | 108.2 | C29—C28—H28A | 109.3 |
C6—C5—C4 | 111.9 (6) | C27—C28—H28B | 109.3 |
C6—C5—H5A | 109.2 | C29—C28—H28B | 109.3 |
C4—C5—H5A | 109.2 | H28A—C28—H28B | 108.0 |
C6—C5—H5B | 109.2 | C28—C29—C30 | 111.4 (6) |
C4—C5—H5B | 109.2 | C28—C29—H29A | 109.4 |
H5A—C5—H5B | 107.9 | C30—C29—H29A | 109.4 |
C1—C6—C5 | 110.5 (6) | C28—C29—H29B | 109.4 |
C1—C6—H6A | 109.6 | C30—C29—H29B | 109.4 |
C5—C6—H6A | 109.6 | H29A—C29—H29B | 108.0 |
C1—C6—H6B | 109.6 | C25—C30—C29 | 111.2 (5) |
C5—C6—H6B | 109.6 | C25—C30—H30A | 109.4 |
H6A—C6—H6B | 108.1 | C29—C30—H30A | 109.4 |
O2—C7—C12 | 108.7 (4) | C25—C30—H30B | 109.4 |
O2—C7—C8 | 108.2 (4) | C29—C30—H30B | 109.4 |
C12—C7—C8 | 112.0 (4) | H30A—C30—H30B | 108.0 |
O2—C7—H7 | 109.3 | O6—C31—C32 | 106.7 (5) |
C12—C7—H7 | 109.3 | O6—C31—C36 | 108.9 (4) |
C8—C7—H7 | 109.3 | C32—C31—C36 | 111.6 (5) |
C7—C8—C9 | 109.6 (5) | O6—C31—H31 | 109.8 |
C7—C8—H8A | 109.8 | C32—C31—H31 | 109.8 |
C9—C8—H8A | 109.8 | C36—C31—H31 | 109.8 |
C7—C8—H8B | 109.8 | C31—C32—C33 | 110.0 (5) |
C9—C8—H8B | 109.8 | C31—C32—H32A | 109.7 |
H8A—C8—H8B | 108.2 | C33—C32—H32A | 109.7 |
C8—C9—C10 | 111.3 (5) | C31—C32—H32B | 109.7 |
C8—C9—H9A | 109.4 | C33—C32—H32B | 109.7 |
C10—C9—H9A | 109.4 | H32A—C32—H32B | 108.2 |
C8—C9—H9B | 109.4 | C34—C33—C32 | 110.3 (6) |
C10—C9—H9B | 109.4 | C34—C33—H33A | 109.6 |
H9A—C9—H9B | 108.0 | C32—C33—H33A | 109.6 |
C11—C10—C9 | 109.7 (5) | C34—C33—H33B | 109.6 |
C11—C10—H10A | 109.7 | C32—C33—H33B | 109.6 |
C9—C10—H10A | 109.7 | H33A—C33—H33B | 108.1 |
C11—C10—H10B | 109.7 | C33—C34—C35 | 111.5 (5) |
C9—C10—H10B | 109.7 | C33—C34—H34A | 109.3 |
H10A—C10—H10B | 108.2 | C35—C34—H34A | 109.3 |
C10—C11—C12 | 111.4 (5) | C33—C34—H34B | 109.3 |
C10—C11—H11A | 109.4 | C35—C34—H34B | 109.3 |
C12—C11—H11A | 109.4 | H34A—C34—H34B | 108.0 |
C10—C11—H11B | 109.4 | C34—C35—C36 | 112.0 (5) |
C12—C11—H11B | 109.4 | C34—C35—H35A | 109.2 |
H11A—C11—H11B | 108.0 | C36—C35—H35A | 109.2 |
C7—C12—C11 | 109.4 (4) | C34—C35—H35B | 109.2 |
C7—C12—H12A | 109.8 | C36—C35—H35B | 109.2 |
C11—C12—H12A | 109.8 | H35A—C35—H35B | 107.9 |
C7—C12—H12B | 109.8 | C35—C36—C31 | 110.3 (5) |
C11—C12—H12B | 109.8 | C35—C36—H36A | 109.6 |
H12A—C12—H12B | 108.2 | C31—C36—H36A | 109.6 |
O3—C13—C14 | 110.0 (5) | C35—C36—H36B | 109.6 |
O3—C13—C18 | 107.2 (5) | C31—C36—H36B | 109.6 |
C14—C13—C18 | 111.5 (5) | H36A—C36—H36B | 108.1 |
O3—C13—H13 | 109.3 | Cl1—C37—Cl2 | 110.8 (4) |
C14—C13—H13 | 109.3 | Cl1—C37—Cl3 | 109.7 (4) |
C18—C13—H13 | 109.3 | Cl2—C37—Cl3 | 110.1 (4) |
C13—C14—C15 | 109.8 (6) | Cl1—C37—H37 | 108.7 |
C13—C14—H14A | 109.7 | Cl2—C37—H37 | 108.7 |
C15—C14—H14A | 109.7 | Cl3—C37—H37 | 108.7 |
C13—C14—H14B | 109.7 | Cl5—C38—Cl4 | 118.1 (6) |
C15—C14—H14B | 109.7 | Cl5—C38—Cl6 | 105.1 (5) |
H14A—C14—H14B | 108.2 | Cl4—C38—Cl6 | 107.7 (5) |
C14—C15—C16 | 112.0 (6) | Cl5—C38—H38 | 108.5 |
C14—C15—H15A | 109.2 | Cl4—C38—H38 | 108.5 |
C16—C15—H15A | 109.2 | Cl6—C38—H38 | 108.5 |
C14—C15—H15B | 109.2 | Cl6A—C38A—Cl4A | 101.3 (15) |
C16—C15—H15B | 109.2 | Cl6A—C38A—Cl5A | 101.2 (13) |
H15A—C15—H15B | 107.9 | Cl4A—C38A—Cl5A | 117.3 (13) |
C17—C16—C15 | 111.2 (5) | Cl6A—C38A—H38A | 112.0 |
C17—C16—H16A | 109.4 | Cl4A—C38A—H38A | 112.0 |
C15—C16—H16A | 109.4 | Cl5A—C38A—H38A | 112.0 |
C17—C16—H16B | 109.4 | C38A—Cl4A—Cl6A | 38.2 (9) |
C15—C16—H16B | 109.4 | C38A—Cl6A—Cl4A | 40.5 (10) |
H16A—C16—H16B | 108.0 | ||
S3—Bi—S1—P1 | −179.28 (7) | S6—P3—O6—C31 | −69.4 (4) |
S5—Bi—S1—P1 | −89.60 (7) | S5—P3—O6—C31 | 56.2 (4) |
S6—Bi—S1—P1 | −66.7 (2) | P1—O1—C1—C6 | −109.8 (5) |
S4—Bi—S1—P1 | 108.05 (7) | P1—O1—C1—C2 | 128.1 (5) |
S2—Bi—S1—P1 | 3.90 (6) | C6—C1—C2—C3 | 56.7 (8) |
S3—Bi—S2—P1 | −14.70 (18) | O1—C1—C2—C3 | 177.2 (6) |
S5—Bi—S2—P1 | 89.46 (6) | C1—C2—C3—C4 | −55.7 (9) |
S1—Bi—S2—P1 | −3.93 (6) | C2—C3—C4—C5 | 54.7 (9) |
S6—Bi—S2—P1 | 162.60 (6) | C3—C4—C5—C6 | −54.7 (9) |
S4—Bi—S2—P1 | −93.18 (7) | O1—C1—C6—C5 | −176.3 (5) |
S5—Bi—S3—P2 | 173.14 (6) | C2—C1—C6—C5 | −57.0 (8) |
S1—Bi—S3—P2 | −92.22 (6) | C4—C5—C6—C1 | 55.8 (8) |
S6—Bi—S3—P2 | 100.70 (6) | P1—O2—C7—C12 | 127.6 (4) |
S4—Bi—S3—P2 | 1.46 (6) | P1—O2—C7—C8 | −110.6 (4) |
S2—Bi—S3—P2 | −81.94 (16) | O2—C7—C8—C9 | −176.7 (4) |
S3—Bi—S4—P2 | −1.47 (6) | C12—C7—C8—C9 | −56.9 (6) |
S5—Bi—S4—P2 | −27.15 (16) | C7—C8—C9—C10 | 56.4 (6) |
S1—Bi—S4—P2 | 87.88 (7) | C8—C9—C10—C11 | −57.3 (7) |
S6—Bi—S4—P2 | −93.41 (7) | C9—C10—C11—C12 | 57.9 (7) |
S2—Bi—S4—P2 | 160.77 (6) | O2—C7—C12—C11 | 176.7 (4) |
S3—Bi—S5—P3 | −93.18 (6) | C8—C7—C12—C11 | 57.3 (6) |
S1—Bi—S5—P3 | 176.39 (6) | C10—C11—C12—C7 | −57.7 (7) |
S6—Bi—S5—P3 | 2.04 (6) | P2—O3—C13—C14 | −100.2 (5) |
S4—Bi—S5—P3 | −68.74 (14) | P2—O3—C13—C18 | 138.3 (4) |
S2—Bi—S5—P3 | 103.57 (6) | O3—C13—C14—C15 | −176.2 (5) |
S3—Bi—S6—P3 | 86.04 (7) | C18—C13—C14—C15 | −57.4 (8) |
S5—Bi—S6—P3 | −2.06 (6) | C13—C14—C15—C16 | 57.1 (9) |
S1—Bi—S6—P3 | −26.1 (2) | C14—C15—C16—C17 | −55.2 (9) |
S4—Bi—S6—P3 | 159.27 (6) | C15—C16—C17—C18 | 53.1 (8) |
S2—Bi—S6—P3 | −93.16 (7) | O3—C13—C18—C17 | 176.0 (5) |
Bi—S2—P1—O1 | −119.83 (17) | C14—C13—C18—C17 | 55.5 (8) |
Bi—S2—P1—O2 | 132.12 (16) | C16—C17—C18—C13 | −53.3 (8) |
Bi—S2—P1—S1 | 5.57 (9) | P2—O4—C19—C20 | 129.6 (5) |
Bi—S1—P1—O1 | 120.90 (16) | P2—O4—C19—C24 | −108.9 (5) |
Bi—S1—P1—O2 | −133.04 (16) | O4—C19—C20—C21 | 174.8 (5) |
Bi—S1—P1—S2 | −5.75 (9) | C24—C19—C20—C21 | 55.6 (7) |
Bi—S4—P2—O3 | −124.14 (16) | C19—C20—C21—C22 | −54.7 (8) |
Bi—S4—P2—O4 | 128.82 (17) | C20—C21—C22—C23 | 55.5 (8) |
Bi—S4—P2—S3 | 2.06 (9) | C21—C22—C23—C24 | −56.3 (8) |
Bi—S3—P2—O3 | 125.54 (16) | O4—C19—C24—C23 | −176.0 (5) |
Bi—S3—P2—O4 | −128.53 (16) | C20—C19—C24—C23 | −57.0 (7) |
Bi—S3—P2—S4 | −2.12 (9) | C22—C23—C24—C19 | 56.3 (8) |
Bi—S6—P3—O5 | −123.49 (15) | P3—O5—C25—C30 | −137.0 (4) |
Bi—S6—P3—O6 | 128.97 (16) | P3—O5—C25—C26 | 101.7 (5) |
Bi—S6—P3—S5 | 2.88 (8) | O5—C25—C26—C27 | 174.6 (5) |
Bi—S5—P3—O5 | 124.15 (16) | C30—C25—C26—C27 | 56.1 (7) |
Bi—S5—P3—O6 | −129.77 (16) | C25—C26—C27—C28 | −56.6 (8) |
Bi—S5—P3—S6 | −2.94 (9) | C26—C27—C28—C29 | 56.7 (8) |
O2—P1—O1—C1 | −170.4 (4) | C27—C28—C29—C30 | −55.4 (8) |
S2—P1—O1—C1 | 71.7 (4) | O5—C25—C30—C29 | −173.8 (5) |
S1—P1—O1—C1 | −54.7 (4) | C26—C25—C30—C29 | −54.6 (7) |
O1—P1—O2—C7 | 172.3 (4) | C28—C29—C30—C25 | 53.9 (8) |
S2—P1—O2—C7 | −69.7 (4) | P3—O6—C31—C32 | −116.3 (5) |
S1—P1—O2—C7 | 57.4 (4) | P3—O6—C31—C36 | 123.1 (4) |
O4—P2—O3—C13 | −166.6 (4) | O6—C31—C32—C33 | −176.3 (5) |
S4—P2—O3—C13 | 76.6 (4) | C36—C31—C32—C33 | −57.4 (7) |
S3—P2—O3—C13 | −49.9 (5) | C31—C32—C33—C34 | 56.9 (8) |
O3—P2—O4—C19 | −178.8 (4) | C32—C33—C34—C35 | −55.8 (8) |
S4—P2—O4—C19 | −60.5 (4) | C33—C34—C35—C36 | 55.6 (8) |
S3—P2—O4—C19 | 65.8 (4) | C34—C35—C36—C31 | −54.7 (7) |
O6—P3—O5—C25 | −180.0 (4) | O6—C31—C36—C35 | 174.0 (5) |
S6—P3—O5—C25 | 62.0 (4) | C32—C31—C36—C35 | 56.4 (7) |
S5—P3—O5—C25 | −63.9 (4) | Cl5A—C38A—Cl4A—Cl6A | −109.1 (15) |
O5—P3—O6—C31 | 172.5 (4) | Cl5A—C38A—Cl6A—Cl4A | 121.1 (14) |
D—H···A | D—H | H···A | D···A | D—H···A |
C37—H37···O3 | 0.99 | 2.34 | 3.254 (8) | 152 |
C37—H37···O4 | 0.99 | 2.60 | 3.489 (9) | 149 |
C38—H38···O1 | 0.99 | 2.60 | 3.365 (9) | 134 |
C38—H38···O2 | 0.99 | 2.99 | 3.699 (10) | 129 |
C6—H6B···Cl4i | 0.98 | 2.97 | 3.709 (8) | 133 |
C11—H11A···S6ii | 0.98 | 2.87 | 3.576 (7) | 130 |
Symmetry codes: (i) −x+1, −y, −z; (ii) −x, −y, −z. |