Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803016325/wn6173sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803016325/wn6173Isup2.hkl |
CCDC reference: 221654
Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens,1996); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
C16H10GeN2S2 | F(000) = 1472 |
Mr = 367.01 | Dx = 1.495 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 5356 reflections |
a = 15.3121 (11) Å | θ = 2.4–24.7° |
b = 14.0064 (10) Å | µ = 2.13 mm−1 |
c = 15.7730 (11) Å | T = 293 K |
β = 105.390 (1)° | Slab, light brown |
V = 3261.5 (4) Å3 | 0.40 × 0.40 × 0.20 mm |
Z = 8 |
Siemens SMART CCD area-detector diffractometer | 7949 independent reflections |
Radiation source: fine-focus sealed tube | 4421 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.046 |
Detector resolution: 8.33 pixels mm-1 | θmax = 28.3°, θmin = 2.2° |
ω scans | h = −16→20 |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | k = −18→13 |
Tmin = 0.469, Tmax = 0.656 | l = −20→21 |
19939 measured reflections |
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)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.100 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0286P)2 + 1.6083P] where P = (Fo2 + 2Fc2)/3 |
7949 reflections | (Δ/σ)max < 0.001 |
379 parameters | Δρmax = 0.39 e Å−3 |
0 restraints | Δρmin = −0.34 e Å−3 |
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'s are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles |
Refinement. Refinement on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs 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 | ||
Ge1A | 0.26299 (3) | 0.37156 (3) | 0.06723 (3) | 0.0433 (1) | |
S1A | 0.29231 (6) | 0.29402 (7) | −0.04698 (7) | 0.0500 (3) | |
S2A | 0.12875 (7) | 0.29841 (7) | 0.05615 (6) | 0.0498 (4) | |
N1A | 0.1635 (2) | 0.1645 (3) | −0.2393 (2) | 0.0631 (14) | |
N2A | −0.0377 (2) | 0.1721 (3) | −0.1142 (2) | 0.0588 (12) | |
C1A | 0.3485 (2) | 0.3417 (3) | 0.1776 (2) | 0.0478 (14) | |
C2A | 0.3720 (3) | 0.4108 (4) | 0.2411 (3) | 0.0657 (17) | |
C3A | 0.4311 (3) | 0.3933 (5) | 0.3211 (3) | 0.087 (2) | |
C4A | 0.4651 (4) | 0.3042 (5) | 0.3390 (4) | 0.095 (3) | |
C5A | 0.4440 (4) | 0.2325 (4) | 0.2776 (4) | 0.101 (3) | |
C6A | 0.3840 (3) | 0.2521 (4) | 0.1947 (3) | 0.0761 (19) | |
C7A | 0.2421 (3) | 0.5066 (3) | 0.0469 (2) | 0.0448 (12) | |
C8A | 0.1560 (3) | 0.5436 (3) | 0.0202 (3) | 0.0652 (17) | |
C9A | 0.1416 (4) | 0.6400 (4) | 0.0074 (3) | 0.080 (2) | |
C10A | 0.2125 (4) | 0.7017 (4) | 0.0210 (3) | 0.083 (2) | |
C11A | 0.2980 (4) | 0.6673 (4) | 0.0473 (4) | 0.089 (2) | |
C12A | 0.3134 (3) | 0.5709 (3) | 0.0613 (3) | 0.0711 (19) | |
C13A | 0.1845 (2) | 0.2462 (2) | −0.0891 (2) | 0.0386 (12) | |
C14A | 0.1714 (3) | 0.2006 (3) | −0.1732 (3) | 0.0471 (14) | |
C15A | 0.1175 (2) | 0.2490 (2) | −0.0482 (2) | 0.0387 (12) | |
C16A | 0.0315 (3) | 0.2055 (3) | −0.0864 (2) | 0.0442 (12) | |
Ge1B | 0.20841 (3) | 0.95399 (3) | 0.21895 (3) | 0.0463 (2) | |
S1B | 0.33172 (8) | 1.00175 (8) | 0.32352 (8) | 0.0622 (4) | |
S2B | 0.22458 (7) | 0.79810 (7) | 0.25345 (7) | 0.0579 (4) | |
N1B | 0.5319 (3) | 0.8919 (3) | 0.4642 (3) | 0.0830 (16) | |
N2B | 0.4113 (3) | 0.6455 (3) | 0.3733 (4) | 0.109 (2) | |
C1B | 0.1026 (2) | 1.0115 (3) | 0.2410 (2) | 0.0464 (12) | |
C2B | 0.0738 (3) | 1.0991 (3) | 0.2062 (3) | 0.0609 (17) | |
C3B | −0.0006 (3) | 1.1433 (3) | 0.2240 (3) | 0.0752 (19) | |
C4B | −0.0460 (3) | 1.0976 (4) | 0.2760 (4) | 0.076 (2) | |
C5B | −0.0188 (4) | 1.0101 (4) | 0.3103 (3) | 0.080 (2) | |
C6B | 0.0549 (3) | 0.9680 (3) | 0.2926 (3) | 0.0669 (19) | |
C7B | 0.2270 (3) | 0.9781 (3) | 0.1048 (3) | 0.0497 (14) | |
C8B | 0.3132 (3) | 0.9811 (4) | 0.0953 (3) | 0.082 (2) | |
C9B | 0.3286 (4) | 0.9922 (5) | 0.0131 (4) | 0.103 (3) | |
C10B | 0.2559 (4) | 0.9985 (4) | −0.0595 (3) | 0.087 (3) | |
C11B | 0.1699 (4) | 0.9973 (3) | −0.0515 (3) | 0.0690 (19) | |
C12B | 0.1553 (3) | 0.9862 (3) | 0.0312 (3) | 0.0575 (17) | |
C13B | 0.3762 (2) | 0.8887 (3) | 0.3527 (2) | 0.0448 (12) | |
C14B | 0.4637 (3) | 0.8891 (3) | 0.4152 (3) | 0.0559 (17) | |
C15B | 0.3330 (3) | 0.8061 (3) | 0.3244 (3) | 0.0481 (14) | |
C16B | 0.3767 (3) | 0.7166 (3) | 0.3522 (3) | 0.0681 (19) | |
H2A | 0.34700 | 0.47140 | 0.22930 | 0.0780* | |
H3A | 0.44760 | 0.44180 | 0.36260 | 0.1040* | |
H4A | 0.50360 | 0.29130 | 0.39420 | 0.1140* | |
H5A | 0.46890 | 0.17200 | 0.29040 | 0.1210* | |
H6A | 0.36880 | 0.20450 | 0.15230 | 0.0910* | |
H8A | 0.10650 | 0.50260 | 0.01070 | 0.0780* | |
H9A | 0.08270 | 0.66320 | −0.01070 | 0.0950* | |
H10A | 0.20230 | 0.76690 | 0.01230 | 0.1000* | |
H11A | 0.34690 | 0.70900 | 0.05590 | 0.1070* | |
H12A | 0.37250 | 0.54870 | 0.08070 | 0.0850* | |
H2B | 0.10440 | 1.12940 | 0.17020 | 0.0730* | |
H3B | −0.01930 | 1.20330 | 0.20090 | 0.0910* | |
H4B | −0.09600 | 1.12660 | 0.28800 | 0.0910* | |
H5B | −0.05010 | 0.97930 | 0.34540 | 0.0960* | |
H6B | 0.07330 | 0.90820 | 0.31630 | 0.0800* | |
H8B | 0.36220 | 0.97550 | 0.14460 | 0.0990* | |
H9B | 0.38740 | 0.99550 | 0.00730 | 0.1240* | |
H10B | 0.26570 | 1.00350 | −0.11500 | 0.1040* | |
H11B | 0.12110 | 1.00390 | −0.10090 | 0.0830* | |
H12B | 0.09640 | 0.98420 | 0.03680 | 0.0690* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ge1A | 0.0375 (2) | 0.0471 (2) | 0.0421 (2) | −0.0047 (2) | 0.0047 (2) | −0.0039 (2) |
S1A | 0.0398 (6) | 0.0590 (6) | 0.0532 (6) | −0.0093 (5) | 0.0159 (5) | −0.0087 (5) |
S2A | 0.0442 (6) | 0.0628 (7) | 0.0439 (6) | −0.0142 (5) | 0.0145 (5) | −0.0113 (5) |
N1A | 0.064 (2) | 0.083 (3) | 0.043 (2) | −0.005 (2) | 0.0152 (18) | −0.0035 (19) |
N2A | 0.047 (2) | 0.067 (2) | 0.060 (2) | −0.0105 (18) | 0.0101 (18) | −0.0121 (18) |
C1A | 0.033 (2) | 0.062 (3) | 0.044 (2) | −0.0022 (19) | 0.0027 (17) | 0.003 (2) |
C2A | 0.044 (3) | 0.090 (3) | 0.055 (3) | 0.008 (2) | −0.001 (2) | −0.009 (3) |
C3A | 0.063 (3) | 0.127 (5) | 0.060 (3) | 0.009 (3) | −0.001 (3) | −0.011 (3) |
C4A | 0.073 (4) | 0.137 (6) | 0.061 (4) | −0.004 (4) | −0.005 (3) | 0.020 (4) |
C5A | 0.080 (4) | 0.086 (4) | 0.121 (5) | 0.012 (3) | 0.001 (4) | 0.040 (4) |
C6A | 0.064 (3) | 0.074 (3) | 0.080 (4) | −0.001 (3) | 0.001 (3) | 0.012 (3) |
C7A | 0.046 (2) | 0.044 (2) | 0.044 (2) | −0.0028 (19) | 0.0115 (18) | −0.0044 (18) |
C8A | 0.058 (3) | 0.065 (3) | 0.066 (3) | 0.003 (2) | 0.005 (2) | 0.011 (2) |
C9A | 0.075 (4) | 0.071 (4) | 0.088 (4) | 0.021 (3) | 0.013 (3) | 0.002 (3) |
C10A | 0.121 (5) | 0.052 (3) | 0.077 (4) | 0.015 (3) | 0.028 (4) | −0.007 (3) |
C11A | 0.093 (4) | 0.050 (3) | 0.125 (5) | −0.015 (3) | 0.029 (4) | −0.014 (3) |
C12A | 0.048 (3) | 0.058 (3) | 0.107 (4) | −0.005 (2) | 0.020 (3) | −0.013 (3) |
C13A | 0.039 (2) | 0.038 (2) | 0.037 (2) | −0.0023 (16) | 0.0071 (17) | 0.0001 (16) |
C14A | 0.041 (2) | 0.059 (3) | 0.041 (2) | −0.0028 (19) | 0.0105 (18) | 0.005 (2) |
C15A | 0.037 (2) | 0.041 (2) | 0.036 (2) | −0.0030 (16) | 0.0059 (16) | −0.0002 (16) |
C16A | 0.043 (2) | 0.048 (2) | 0.041 (2) | −0.0059 (19) | 0.0102 (18) | −0.0036 (18) |
Ge1B | 0.0468 (3) | 0.0480 (3) | 0.0405 (2) | 0.0073 (2) | 0.0054 (2) | 0.0007 (2) |
S1B | 0.0624 (7) | 0.0429 (6) | 0.0669 (7) | 0.0016 (5) | −0.0081 (6) | −0.0090 (5) |
S2B | 0.0545 (7) | 0.0439 (6) | 0.0653 (7) | −0.0056 (5) | −0.0014 (5) | −0.0032 (5) |
N1B | 0.052 (2) | 0.088 (3) | 0.094 (3) | 0.012 (2) | −0.007 (2) | −0.006 (2) |
N2B | 0.085 (3) | 0.060 (3) | 0.181 (5) | 0.023 (3) | 0.035 (3) | 0.037 (3) |
C1B | 0.043 (2) | 0.050 (2) | 0.041 (2) | −0.0004 (19) | 0.0019 (18) | −0.0104 (18) |
C2B | 0.060 (3) | 0.052 (3) | 0.070 (3) | 0.007 (2) | 0.016 (2) | 0.001 (2) |
C3B | 0.072 (3) | 0.057 (3) | 0.091 (4) | 0.021 (3) | 0.012 (3) | −0.005 (3) |
C4B | 0.052 (3) | 0.086 (4) | 0.089 (4) | 0.004 (3) | 0.015 (3) | −0.036 (3) |
C5B | 0.090 (4) | 0.083 (4) | 0.082 (4) | −0.010 (3) | 0.050 (3) | −0.022 (3) |
C6B | 0.088 (4) | 0.061 (3) | 0.060 (3) | 0.008 (3) | 0.034 (3) | 0.002 (2) |
C7B | 0.055 (3) | 0.048 (2) | 0.047 (2) | 0.0071 (19) | 0.015 (2) | −0.0013 (19) |
C8B | 0.063 (3) | 0.124 (5) | 0.064 (3) | 0.023 (3) | 0.024 (3) | 0.019 (3) |
C9B | 0.078 (4) | 0.155 (6) | 0.090 (4) | 0.037 (4) | 0.046 (4) | 0.031 (4) |
C10B | 0.115 (5) | 0.092 (4) | 0.067 (4) | 0.034 (4) | 0.048 (4) | 0.016 (3) |
C11B | 0.096 (4) | 0.055 (3) | 0.051 (3) | 0.009 (3) | 0.011 (3) | 0.007 (2) |
C12B | 0.070 (3) | 0.052 (3) | 0.049 (3) | −0.004 (2) | 0.013 (2) | 0.004 (2) |
C13B | 0.040 (2) | 0.048 (2) | 0.045 (2) | 0.0063 (18) | 0.0088 (18) | 0.0006 (18) |
C14B | 0.047 (3) | 0.058 (3) | 0.062 (3) | 0.003 (2) | 0.013 (2) | −0.006 (2) |
C15B | 0.046 (2) | 0.043 (2) | 0.055 (3) | 0.0033 (19) | 0.0128 (19) | 0.0061 (19) |
C16B | 0.057 (3) | 0.048 (3) | 0.102 (4) | 0.008 (2) | 0.026 (3) | 0.015 (3) |
Ge1A—S1A | 2.2484 (11) | C4A—H4A | 0.9305 |
Ge1A—S2A | 2.2616 (12) | C5A—H5A | 0.9292 |
Ge1A—C1A | 1.926 (3) | C6A—H6A | 0.9291 |
Ge1A—C7A | 1.931 (4) | C8A—H8A | 0.9308 |
Ge1B—C1B | 1.922 (3) | C9A—H9A | 0.9294 |
Ge1B—C7B | 1.926 (5) | C10A—H10A | 0.9305 |
Ge1B—S2B | 2.2480 (11) | C11A—H11A | 0.9307 |
Ge1B—S1B | 2.2539 (13) | C12A—H12A | 0.9286 |
S1A—C13A | 1.742 (3) | C1B—C2B | 1.368 (6) |
S2A—C15A | 1.751 (3) | C1B—C6B | 1.372 (6) |
S1B—C13B | 1.737 (4) | C2B—C3B | 1.389 (7) |
S2B—C15B | 1.742 (5) | C3B—C4B | 1.367 (7) |
N1A—C14A | 1.136 (6) | C4B—C5B | 1.360 (8) |
N2A—C16A | 1.135 (6) | C5B—C6B | 1.366 (8) |
N1B—C14B | 1.123 (7) | C7B—C8B | 1.368 (7) |
N2B—C16B | 1.136 (6) | C7B—C12B | 1.375 (7) |
C1A—C6A | 1.366 (7) | C8B—C9B | 1.387 (8) |
C1A—C2A | 1.370 (6) | C9B—C10B | 1.372 (8) |
C2A—C3A | 1.366 (7) | C10B—C11B | 1.356 (9) |
C3A—C4A | 1.353 (10) | C11B—C12B | 1.389 (7) |
C4A—C5A | 1.373 (9) | C13B—C14B | 1.437 (6) |
C5A—C6A | 1.411 (8) | C13B—C15B | 1.349 (6) |
C7A—C8A | 1.375 (6) | C15B—C16B | 1.434 (6) |
C7A—C12A | 1.387 (6) | C2B—H2B | 0.9291 |
C8A—C9A | 1.374 (7) | C3B—H3B | 0.9304 |
C9A—C10A | 1.359 (8) | C4B—H4B | 0.9295 |
C10A—C11A | 1.353 (9) | C5B—H5B | 0.9291 |
C11A—C12A | 1.378 (7) | C6B—H6B | 0.9299 |
C13A—C14A | 1.438 (5) | C8B—H8B | 0.9296 |
C13A—C15A | 1.350 (4) | C9B—H9B | 0.9300 |
C15A—C16A | 1.431 (5) | C10B—H10B | 0.9292 |
C2A—H2A | 0.9294 | C11B—H11B | 0.9301 |
C3A—H3A | 0.9306 | C12B—H12B | 0.9297 |
Ge1A···N1Bi | 3.319 (5) | C1B···C7B | 3.261 (6) |
Ge1B···N2Aii | 3.223 (4) | C2A···C12A | 3.539 (7) |
S1A···C1A | 3.481 (3) | C2B···C14Aiv | 3.495 (6) |
S1A···C7A | 3.500 (4) | C3B···C16Aiv | 3.590 (6) |
S1A···S2A | 3.3293 (15) | C3B···C14Aiv | 3.476 (6) |
S1A···N1Bi | 2.994 (5) | C4B···C16Aiv | 3.515 (7) |
S1A···S1Biii | 3.6569 (16) | C5B···N1Aii | 3.290 (7) |
S1A···C15A | 2.745 (3) | C6B···N2Aii | 3.383 (6) |
S1B···C7B | 3.413 (5) | C6B···C8Aiv | 3.516 (6) |
S1B···C15B | 2.740 (4) | C7A···S2A | 3.416 (4) |
S1B···C1B | 3.405 (3) | C7A···S1A | 3.500 (4) |
S1B···C8B | 3.547 (5) | C7A···C2A | 3.450 (6) |
S1B···S2B | 3.3297 (16) | C7A···C1A | 3.234 (5) |
S1B···S1Aiv | 3.6569 (16) | C7B···S1B | 3.413 (5) |
S2A···C8A | 3.524 (4) | C7B···S2B | 3.450 (5) |
S2A···S1A | 3.3293 (15) | C7B···C1B | 3.261 (6) |
S2A···C7A | 3.416 (4) | C7B···C2B | 3.595 (7) |
S2A···N1Av | 3.170 (3) | C8A···C6Biii | 3.516 (6) |
S2A···C1A | 3.455 (3) | C9B···N2Biii | 3.416 (8) |
S2A···C13A | 2.748 (3) | C10B···C14Ax | 3.416 (7) |
S2B···C1B | 3.502 (4) | C11B···C16Ax | 3.561 (7) |
S2B···C6B | 3.694 (5) | C11B···C14Ax | 3.438 (6) |
S2B···C7B | 3.450 (5) | C11B···C13Ax | 3.553 (5) |
S2B···S1B | 3.3297 (16) | C12A···C2A | 3.539 (7) |
S2B···N2Aii | 3.139 (3) | C12B···N2Aii | 3.335 (6) |
S2B···C13B | 2.743 (4) | C13A···C11Bvi | 3.553 (5) |
S1B···H8B | 3.0027 | C14A···C3Biii | 3.476 (6) |
S2A···H8A | 2.9461 | C14A···C2Biii | 3.495 (6) |
S2A···H2Bvi | 3.0553 | C14A···C10Bvi | 3.416 (7) |
S2A···H9Aii | 3.1708 | C14A···C11Bvi | 3.438 (6) |
S2B···H6B | 3.1536 | C16A···C4Biii | 3.515 (7) |
S2B···H4Bvii | 3.0644 | C16A···C11Bvi | 3.561 (7) |
N1A···C1Aviii | 3.424 (4) | C16A···C3Biii | 3.590 (6) |
N1A···S2Aviii | 3.170 (3) | C3B···H11Bxi | 3.0860 |
N1A···C5Bii | 3.290 (7) | C4B···H11Bxi | 3.0472 |
N1B···Ge1Aix | 3.319 (5) | C7A···H2A | 2.9406 |
N1B···S1Aix | 2.994 (5) | C9A···H6Biii | 2.9936 |
N1B···C1Aix | 3.320 (6) | C12A···H2A | 2.9163 |
N2A···C12Bii | 3.335 (6) | H2A···C7A | 2.9406 |
N2A···Ge1Bii | 3.223 (4) | H2A···C12A | 2.9163 |
N2A···S2Bii | 3.139 (3) | H2B···S2Ax | 3.0553 |
N2A···C6Bii | 3.383 (6) | H3A···N2B | 2.9202 |
N2A···C1Bii | 3.247 (5) | H4A···H11Ai | 2.4964 |
N2B···C9Biv | 3.416 (8) | H4B···S2Bxii | 3.0644 |
N1A···H5Bii | 2.8862 | H5B···N1Aii | 2.8862 |
N1B···H12Aix | 2.8316 | H6B···C9Aiv | 2.9936 |
N2A···H12Bii | 2.7701 | H6B···S2B | 3.1536 |
N2B···H3A | 2.9202 | H8A···S2A | 2.9461 |
C1A···S2A | 3.455 (3) | H8B···S1B | 3.0027 |
C1A···C7A | 3.234 (5) | H9A···S2Aii | 3.1708 |
C1A···S1A | 3.481 (3) | H11A···H4Aix | 2.4964 |
C1A···N1Av | 3.424 (4) | H11B···C4Bxi | 3.0472 |
C1A···N1Bi | 3.320 (6) | H11B···C3Bxi | 3.0860 |
C1B···S2B | 3.502 (4) | H12A···N1Bi | 2.8316 |
C1B···S1B | 3.405 (3) | H12B···N2Aii | 2.7701 |
C1B···N2Aii | 3.247 (5) | ||
S1A—Ge1A—S2A | 95.16 (4) | C10A—C9A—H9A | 119.70 |
S1A—Ge1A—C1A | 112.76 (11) | C8A—C9A—H9A | 119.56 |
S1A—Ge1A—C7A | 113.55 (11) | C11A—C10A—H10A | 120.38 |
S2A—Ge1A—C1A | 110.94 (11) | C9A—C10A—H10A | 120.32 |
S2A—Ge1A—C7A | 108.90 (14) | C10A—C11A—H11A | 119.79 |
C1A—Ge1A—C7A | 113.94 (16) | C12A—C11A—H11A | 119.64 |
S1B—Ge1B—S2B | 95.40 (4) | C7A—C12A—H12A | 119.51 |
S1B—Ge1B—C1B | 109.02 (11) | C11A—C12A—H12A | 119.42 |
S1B—Ge1B—C7B | 109.22 (14) | Ge1B—C1B—C2B | 120.0 (3) |
S2B—Ge1B—C1B | 114.03 (12) | Ge1B—C1B—C6B | 121.9 (3) |
S2B—Ge1B—C7B | 111.25 (13) | C2B—C1B—C6B | 118.1 (4) |
C1B—Ge1B—C7B | 115.88 (17) | C1B—C2B—C3B | 120.8 (4) |
Ge1A—S1A—C13A | 96.94 (11) | C2B—C3B—C4B | 119.2 (4) |
Ge1A—S2A—C15A | 96.45 (11) | C3B—C4B—C5B | 120.7 (5) |
Ge1B—S1B—C13B | 96.71 (12) | C4B—C5B—C6B | 119.4 (5) |
Ge1B—S2B—C15B | 96.78 (15) | C1B—C6B—C5B | 121.9 (4) |
Ge1A—C1A—C2A | 119.4 (3) | Ge1B—C7B—C8B | 119.6 (3) |
Ge1A—C1A—C6A | 121.2 (3) | Ge1B—C7B—C12B | 121.4 (4) |
C2A—C1A—C6A | 119.4 (4) | C8B—C7B—C12B | 118.9 (4) |
C1A—C2A—C3A | 122.0 (5) | C7B—C8B—C9B | 120.9 (5) |
C2A—C3A—C4A | 118.8 (6) | C8B—C9B—C10B | 119.1 (5) |
C3A—C4A—C5A | 121.5 (6) | C9B—C10B—C11B | 121.0 (5) |
C4A—C5A—C6A | 119.0 (5) | C10B—C11B—C12B | 119.4 (5) |
C1A—C6A—C5A | 119.3 (5) | C7B—C12B—C11B | 120.7 (5) |
Ge1A—C7A—C8A | 121.6 (3) | S1B—C13B—C14B | 114.0 (3) |
Ge1A—C7A—C12A | 121.4 (3) | S1B—C13B—C15B | 124.8 (3) |
C8A—C7A—C12A | 117.0 (4) | C14B—C13B—C15B | 121.1 (4) |
C7A—C8A—C9A | 121.3 (5) | N1B—C14B—C13B | 178.2 (5) |
C8A—C9A—C10A | 120.7 (5) | S2B—C15B—C13B | 124.6 (3) |
C9A—C10A—C11A | 119.3 (5) | S2B—C15B—C16B | 115.3 (3) |
C10A—C11A—C12A | 120.6 (5) | C13B—C15B—C16B | 120.0 (4) |
C7A—C12A—C11A | 121.1 (5) | N2B—C16B—C15B | 179.3 (5) |
C14A—C13A—C15A | 121.1 (3) | C1B—C2B—H2B | 119.58 |
S1A—C13A—C14A | 114.1 (3) | C3B—C2B—H2B | 119.58 |
S1A—C13A—C15A | 124.8 (2) | C2B—C3B—H3B | 120.47 |
N1A—C14A—C13A | 178.2 (5) | C4B—C3B—H3B | 120.35 |
S2A—C15A—C16A | 114.5 (2) | C3B—C4B—H4B | 119.68 |
C13A—C15A—C16A | 121.2 (3) | C5B—C4B—H4B | 119.66 |
S2A—C15A—C13A | 124.3 (2) | C4B—C5B—H5B | 120.24 |
N2A—C16A—C15A | 177.6 (4) | C6B—C5B—H5B | 120.40 |
C1A—C2A—H2A | 118.97 | C1B—C6B—H6B | 119.09 |
C3A—C2A—H2A | 119.05 | C5B—C6B—H6B | 119.02 |
C4A—C3A—H3A | 120.60 | C7B—C8B—H8B | 119.59 |
C2A—C3A—H3A | 120.57 | C9B—C8B—H8B | 119.46 |
C3A—C4A—H4A | 119.18 | C8B—C9B—H9B | 120.45 |
C5A—C4A—H4A | 119.35 | C10B—C9B—H9B | 120.47 |
C4A—C5A—H5A | 120.51 | C9B—C10B—H10B | 119.55 |
C6A—C5A—H5A | 120.49 | C11B—C10B—H10B | 119.49 |
C1A—C6A—H6A | 120.44 | C10B—C11B—H11B | 120.33 |
C5A—C6A—H6A | 120.29 | C12B—C11B—H11B | 120.26 |
C7A—C8A—H8A | 119.38 | C7B—C12B—H12B | 119.66 |
C9A—C8A—H8A | 119.37 | C11B—C12B—H12B | 119.63 |
S2A—Ge1A—S1A—C13A | 12.66 (11) | Ge1B—S2B—C15B—C13B | 9.0 (4) |
C1A—Ge1A—S1A—C13A | 127.93 (16) | Ge1B—S2B—C15B—C16B | −170.5 (3) |
C7A—Ge1A—S1A—C13A | −100.55 (18) | Ge1A—C1A—C2A—C3A | 178.9 (4) |
S1A—Ge1A—S2A—C15A | −13.28 (11) | C6A—C1A—C2A—C3A | 0.9 (7) |
C1A—Ge1A—S2A—C15A | −130.05 (16) | Ge1A—C1A—C6A—C5A | −177.8 (4) |
C7A—Ge1A—S2A—C15A | 103.78 (14) | C2A—C1A—C6A—C5A | 0.2 (7) |
S1A—Ge1A—C1A—C2A | 146.2 (3) | C1A—C2A—C3A—C4A | −2.1 (8) |
S2A—Ge1A—C1A—C2A | −108.5 (3) | C2A—C3A—C4A—C5A | 2.3 (9) |
C7A—Ge1A—C1A—C2A | 14.8 (4) | C3A—C4A—C5A—C6A | −1.3 (9) |
S1A—Ge1A—C1A—C6A | −35.9 (3) | C4A—C5A—C6A—C1A | 0.0 (8) |
S2A—Ge1A—C1A—C6A | 69.5 (3) | Ge1A—C7A—C8A—C9A | 178.8 (3) |
C7A—Ge1A—C1A—C6A | −167.2 (3) | Ge1A—C7A—C12A—C11A | −179.5 (4) |
C1A—Ge1A—C7A—C8A | −131.2 (3) | C12A—C7A—C8A—C9A | 0.8 (6) |
S1A—Ge1A—C7A—C8A | 97.9 (3) | C8A—C7A—C12A—C11A | −1.5 (6) |
S2A—Ge1A—C7A—C8A | −6.8 (3) | C7A—C8A—C9A—C10A | −0.1 (7) |
C1A—Ge1A—C7A—C12A | 46.7 (4) | C8A—C9A—C10A—C11A | 0.1 (7) |
S1A—Ge1A—C7A—C12A | −84.2 (3) | C9A—C10A—C11A—C12A | −0.8 (8) |
S2A—Ge1A—C7A—C12A | 171.1 (3) | C10A—C11A—C12A—C7A | 1.5 (8) |
C1B—Ge1B—S1B—C13B | 128.63 (16) | S1A—C13A—C15A—S2A | −2.0 (4) |
C7B—Ge1B—C1B—C2B | −34.9 (4) | C14A—C13A—C15A—C16A | 0.9 (5) |
C7B—Ge1B—S1B—C13B | −103.84 (18) | C14A—C13A—C15A—S2A | 177.2 (3) |
S1B—Ge1B—S2B—C15B | −10.92 (16) | S1A—C13A—C15A—C16A | −178.2 (3) |
C1B—Ge1B—S2B—C15B | −124.53 (19) | C2B—C1B—C6B—C5B | −0.7 (6) |
C7B—Ge1B—S2B—C15B | 102.1 (2) | C6B—C1B—C2B—C3B | 1.1 (6) |
S1B—Ge1B—C1B—C2B | 88.8 (3) | Ge1B—C1B—C2B—C3B | −177.7 (3) |
S2B—Ge1B—C1B—C2B | −166.0 (3) | Ge1B—C1B—C6B—C5B | 178.1 (4) |
C1B—Ge1B—C7B—C8B | 149.7 (4) | C1B—C2B—C3B—C4B | −0.9 (7) |
S1B—Ge1B—C7B—C12B | −158.2 (3) | C2B—C3B—C4B—C5B | 0.2 (8) |
S2B—Ge1B—S1B—C13B | 10.91 (12) | C3B—C4B—C5B—C6B | 0.2 (8) |
C1B—Ge1B—C7B—C12B | −34.6 (4) | C4B—C5B—C6B—C1B | 0.0 (7) |
S1B—Ge1B—C1B—C6B | −90.0 (3) | C8B—C7B—C12B—C11B | 0.0 (7) |
S1B—Ge1B—C7B—C8B | 26.2 (4) | C12B—C7B—C8B—C9B | 0.1 (8) |
S2B—Ge1B—C7B—C8B | −77.9 (4) | Ge1B—C7B—C12B—C11B | −175.7 (3) |
C7B—Ge1B—C1B—C6B | 146.3 (3) | Ge1B—C7B—C8B—C9B | 175.8 (5) |
S2B—Ge1B—C7B—C12B | 97.8 (4) | C7B—C8B—C9B—C10B | −1.2 (9) |
S2B—Ge1B—C1B—C6B | 15.2 (3) | C8B—C9B—C10B—C11B | 2.3 (9) |
Ge1A—S1A—C13A—C14A | 171.5 (2) | C9B—C10B—C11B—C12B | −2.2 (8) |
Ge1A—S1A—C13A—C15A | −9.3 (3) | C10B—C11B—C12B—C7B | 1.1 (7) |
Ge1A—S2A—C15A—C13A | 11.8 (3) | S1B—C13B—C15B—S2B | −0.1 (6) |
Ge1A—S2A—C15A—C16A | −171.7 (2) | C14B—C13B—C15B—C16B | −4.1 (6) |
Ge1B—S1B—C13B—C15B | −8.9 (3) | S1B—C13B—C15B—C16B | 179.4 (3) |
Ge1B—S1B—C13B—C14B | 174.4 (3) | C14B—C13B—C15B—S2B | 176.5 (3) |
Symmetry codes: (i) −x+1, y−1/2, −z+1/2; (ii) −x, −y+1, −z; (iii) x, −y+3/2, z−1/2; (iv) x, −y+3/2, z+1/2; (v) x, −y+1/2, z+1/2; (vi) x, y−1, z; (vii) −x, y−1/2, −z+1/2; (viii) x, −y+1/2, z−1/2; (ix) −x+1, y+1/2, −z+1/2; (x) x, y+1, z; (xi) −x, −y+2, −z; (xii) −x, y+1/2, −z+1/2. |