Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807013256/bt2303sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807013256/bt2303Isup2.hkl |
CCDC reference: 643634
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.013 Å
- R factor = 0.064
- wR factor = 0.140
- Data-to-parameter ratio = 19.1
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) . 500 Ang. PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 500 Deg. PLAT213_ALERT_2_C Atom C10 has ADP max/min Ratio ............. 3.10 oblat PLAT213_ALERT_2_C Atom C15 has ADP max/min Ratio ............. 3.50 prola PLAT213_ALERT_2_C Atom C29 has ADP max/min Ratio ............. 3.30 prola PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 13
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 0 ALERT type 5 Informative message, check
Data collection: CrysAlis CCD (Oxford Diffraction, 2006); cell refinement: CrysAlis RED (Oxford Diffraction, 2006); data reduction: CrysAlis RED; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 1996); software used to prepare material for publication: SHELXL97.
C34H44Cl2Se3Si4 | Z = 2 |
Mr = 872.84 | F(000) = 880 |
Triclinic, P1 | Dx = 1.513 (1) Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.297 (5) Å | Cell parameters from 3128 reflections |
b = 13.012 (5) Å | θ = 3.7–30.0° |
c = 13.751 (5) Å | µ = 3.17 mm−1 |
α = 94.688 (5)° | T = 100 K |
β = 107.801 (5)° | Needle, yellow |
γ = 91.108 (5)° | 0.31 × 0.07 × 0.06 mm |
V = 1916.0 (13) Å3 |
Oxford Xcalibur3 CCD area-detector diffractometer | 11156 independent reflections |
Radiation source: fine-focus sealed tube | 7407 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.065 |
Detector resolution: 15.9809 pixels mm-1 | θmax = 30.0°, θmin = 3.7° |
ω scans | h = −15→15 |
Absorption correction: multi-scan (ABSPACK; Oxford Diffraction, 2006) | k = −18→18 |
Tmin = 0.461, Tmax = 0.830 | l = −19→19 |
13467 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)] = 0.065 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.140 | H-atom parameters constrained |
S = 0.92 | w = 1/[σ2(Fo2) + (0.0485P)2] where P = (Fo2 + 2Fc2)/3 |
7406 reflections | (Δ/σ)max < 0.001 |
388 parameters | Δρmax = 1.36 e Å−3 |
0 restraints | Δρmin = −0.68 e Å−3 |
Refinement. Details of H atom refinement: riding with U(H)=1.2*U(C) for CH2 and CH, 1.5*U(C) for CH3 |
x | y | z | Uiso*/Ueq | ||
Se1 | −0.07903 (8) | 0.62770 (6) | 0.20448 (6) | 0.0224 (2) | |
Se2 | 0.05626 (8) | 0.49917 (7) | 0.26132 (7) | 0.0237 (2) | |
Se3 | −0.08542 (9) | 0.36528 (7) | 0.25082 (6) | 0.0247 (2) | |
Cl2 | −0.1343 (2) | 0.38785 (16) | 0.01522 (16) | 0.0275 (5) | |
Cl1 | −0.1234 (2) | 0.59878 (16) | 0.41606 (16) | 0.0258 (5) | |
Si2 | −0.2764 (2) | 0.74238 (18) | 0.27300 (17) | 0.0211 (6) | |
Si4 | 0.0097 (2) | 0.20932 (18) | 0.10291 (17) | 0.0213 (6) | |
Si3 | −0.2865 (2) | 0.23571 (18) | 0.08423 (18) | 0.0243 (6) | |
Si1 | 0.0202 (2) | 0.78904 (18) | 0.40342 (17) | 0.0212 (6) | |
C13 | 0.2132 (8) | 0.6587 (6) | 0.5041 (6) | 0.026 (2) | |
H13 | 0.1668 | 0.6526 | 0.5507 | 0.032* | |
C34 | 0.2041 (8) | 0.3492 (6) | 0.0900 (6) | 0.020 (2) | |
H34 | 0.1557 | 0.3526 | 0.0205 | 0.024* | |
C17 | 0.2386 (8) | 0.7239 (6) | 0.3554 (6) | 0.027 (2) | |
H17 | 0.2102 | 0.7639 | 0.2987 | 0.032* | |
C4 | −0.3094 (7) | 0.8395 (7) | 0.3688 (6) | 0.024 (2) | |
C12 | 0.1693 (7) | 0.7202 (6) | 0.4239 (6) | 0.021 (2) | |
C18 | −0.1245 (8) | 0.2947 (6) | 0.1092 (6) | 0.024 (2) | |
C29 | 0.1620 (7) | 0.2877 (6) | 0.1532 (6) | 0.020 (2) | |
C14 | 0.3209 (8) | 0.6063 (6) | 0.5191 (6) | 0.026 (2) | |
H14 | 0.3503 | 0.5673 | 0.5765 | 0.031* | |
C26 | −0.3250 (8) | 0.0298 (6) | −0.0149 (7) | 0.027 (2) | |
H26 | −0.3081 | 0.0085 | 0.0523 | 0.033* | |
C33 | 0.3157 (8) | 0.4044 (7) | 0.1295 (7) | 0.030 (2) | |
H33 | 0.3415 | 0.4486 | 0.0874 | 0.036* | |
C15 | 0.3867 (8) | 0.6119 (6) | 0.4472 (7) | 0.030 (2) | |
H15 | 0.4593 | 0.5739 | 0.4541 | 0.036* | |
C20 | −0.2964 (9) | 0.1737 (7) | 0.1984 (6) | 0.036 (2) | |
H20A | −0.2779 | 0.2256 | 0.2575 | 0.054* | |
H20B | −0.2360 | 0.1196 | 0.2133 | 0.054* | |
H20C | −0.3805 | 0.1431 | 0.1848 | 0.054* | |
C25 | −0.3512 (9) | −0.0451 (7) | −0.0968 (8) | 0.042 (3) | |
H25 | −0.3511 | −0.1163 | −0.0859 | 0.050* | |
C16 | 0.3450 (8) | 0.6726 (7) | 0.3671 (7) | 0.032 (2) | |
H16 | 0.3906 | 0.6786 | 0.3200 | 0.038* | |
C30 | 0.2391 (8) | 0.2832 (6) | 0.2520 (7) | 0.030 (2) | |
H30 | 0.2138 | 0.2402 | 0.2954 | 0.036* | |
C5 | −0.3030 (7) | 0.9451 (6) | 0.3572 (6) | 0.024 (2) | |
H5 | −0.2854 | 0.9675 | 0.2988 | 0.029* | |
C7 | −0.3497 (8) | 0.9873 (7) | 0.5123 (7) | 0.035 (2) | |
H7 | −0.3643 | 1.0372 | 0.5613 | 0.042* | |
C24 | −0.3771 (8) | −0.0152 (7) | −0.1932 (7) | 0.030 (2) | |
H24 | −0.3950 | −0.0662 | −0.2499 | 0.036* | |
C23 | −0.3780 (8) | 0.0869 (7) | −0.2102 (6) | 0.027 (2) | |
H23 | −0.3980 | 0.1062 | −0.2783 | 0.033* | |
C28 | 0.0150 (8) | 0.1022 (6) | 0.1862 (6) | 0.024 (2) | |
H28A | 0.0271 | 0.1312 | 0.2568 | 0.037* | |
H28B | 0.0842 | 0.0586 | 0.1844 | 0.037* | |
H28C | −0.0635 | 0.0607 | 0.1611 | 0.037* | |
C9 | −0.3375 (7) | 0.8096 (7) | 0.4546 (6) | 0.029 (2) | |
H9 | −0.3438 | 0.7386 | 0.4649 | 0.034* | |
C31 | 0.3509 (9) | 0.3383 (7) | 0.2901 (7) | 0.038 (3) | |
H31 | 0.4004 | 0.3354 | 0.3594 | 0.046* | |
C1 | −0.1116 (8) | 0.6950 (6) | 0.3288 (6) | 0.022 (2) | |
C8 | −0.3563 (8) | 0.8853 (8) | 0.5248 (7) | 0.039 (3) | |
H8 | −0.3744 | 0.8649 | 0.5837 | 0.047* | |
C32 | 0.3904 (9) | 0.3978 (8) | 0.2264 (8) | 0.045 (3) | |
H32 | 0.4693 | 0.4339 | 0.2504 | 0.054* | |
C11 | 0.0181 (8) | 0.8965 (6) | 0.3230 (6) | 0.024 (2) | |
H11A | 0.0274 | 0.8695 | 0.2572 | 0.036* | |
H11B | 0.0869 | 0.9465 | 0.3582 | 0.036* | |
H11C | −0.0611 | 0.9305 | 0.3109 | 0.036* | |
C6 | −0.3222 (7) | 1.0173 (7) | 0.4299 (7) | 0.028 (2) | |
H6 | −0.3160 | 1.0888 | 0.4216 | 0.034* | |
C2 | −0.2888 (8) | 0.8051 (6) | 0.1525 (6) | 0.023 (2) | |
H2A | −0.2295 | 0.8647 | 0.1682 | 0.034* | |
H2B | −0.3735 | 0.8280 | 0.1238 | 0.034* | |
H2C | −0.2697 | 0.7553 | 0.1026 | 0.034* | |
C27 | −0.0110 (8) | 0.1563 (6) | −0.0314 (6) | 0.026 (2) | |
H27A | −0.0128 | 0.2133 | −0.0741 | 0.039* | |
H27B | −0.0895 | 0.1150 | −0.0578 | 0.039* | |
H27C | 0.0584 | 0.1128 | −0.0329 | 0.039* | |
C22 | −0.3494 (7) | 0.1625 (7) | −0.1278 (7) | 0.029 (2) | |
H22 | −0.3482 | 0.2335 | −0.1395 | 0.034* | |
C10 | 0.0029 (7) | 0.8369 (6) | 0.5275 (6) | 0.022 (2) | |
H10A | 0.0046 | 0.7790 | 0.5691 | 0.033* | |
H10B | −0.0766 | 0.8704 | 0.5162 | 0.033* | |
H10C | 0.0714 | 0.8870 | 0.5634 | 0.033* | |
C21 | −0.3223 (7) | 0.1335 (6) | −0.0264 (6) | 0.023 (2) | |
C19 | −0.4011 (8) | 0.3394 (7) | 0.0542 (7) | 0.036 (2) | |
H19A | −0.3943 | 0.3720 | −0.0058 | 0.054* | |
H19B | −0.3834 | 0.3914 | 0.1131 | 0.054* | |
H19C | −0.4855 | 0.3091 | 0.0395 | 0.054* | |
C3 | −0.3896 (8) | 0.6296 (6) | 0.2440 (6) | 0.028 (2) | |
H3A | −0.3714 | 0.5797 | 0.1937 | 0.042* | |
H3B | −0.4742 | 0.6529 | 0.2159 | 0.042* | |
H3C | −0.3826 | 0.5969 | 0.3071 | 0.042* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Se1 | 0.0299 (6) | 0.0203 (5) | 0.0177 (5) | 0.0059 (4) | 0.0085 (4) | 0.0000 (4) |
Se2 | 0.0251 (6) | 0.0201 (5) | 0.0263 (5) | 0.0023 (4) | 0.0091 (4) | −0.0005 (4) |
Se3 | 0.0326 (6) | 0.0203 (5) | 0.0221 (5) | −0.0033 (4) | 0.0112 (4) | −0.0026 (4) |
Cl2 | 0.0351 (14) | 0.0231 (12) | 0.0233 (13) | 0.0041 (11) | 0.0065 (10) | 0.0057 (10) |
Cl1 | 0.0310 (14) | 0.0233 (12) | 0.0262 (13) | 0.0020 (10) | 0.0128 (10) | 0.0040 (10) |
Si2 | 0.0221 (14) | 0.0224 (13) | 0.0200 (14) | 0.0023 (11) | 0.0082 (11) | 0.0011 (11) |
Si4 | 0.0249 (15) | 0.0239 (14) | 0.0171 (14) | 0.0014 (12) | 0.0098 (11) | 0.0007 (11) |
Si3 | 0.0254 (15) | 0.0281 (15) | 0.0194 (14) | −0.0001 (12) | 0.0081 (11) | −0.0011 (11) |
Si1 | 0.0210 (14) | 0.0252 (14) | 0.0189 (14) | 0.0040 (12) | 0.0075 (11) | 0.0062 (11) |
C13 | 0.034 (6) | 0.023 (5) | 0.021 (5) | 0.000 (5) | 0.007 (4) | −0.001 (4) |
C34 | 0.027 (5) | 0.025 (5) | 0.010 (4) | 0.019 (4) | 0.006 (4) | 0.005 (4) |
C17 | 0.028 (6) | 0.032 (5) | 0.025 (5) | −0.003 (5) | 0.016 (4) | −0.002 (4) |
C4 | 0.009 (5) | 0.037 (6) | 0.021 (5) | 0.001 (4) | −0.001 (4) | 0.003 (4) |
C12 | 0.012 (5) | 0.025 (5) | 0.027 (5) | 0.001 (4) | 0.006 (4) | 0.010 (4) |
C18 | 0.032 (6) | 0.014 (5) | 0.025 (5) | 0.000 (4) | 0.006 (4) | 0.008 (4) |
C29 | 0.017 (5) | 0.013 (4) | 0.034 (6) | 0.011 (4) | 0.010 (4) | 0.012 (4) |
C14 | 0.033 (6) | 0.014 (6) | 0.025 (5) | 0.010 (5) | 0.010 (4) | 0.011 (4) |
C26 | 0.036 (6) | 0.021 (5) | 0.027 (6) | 0.001 (4) | 0.012 (4) | 0.004 (4) |
C33 | 0.032 (6) | 0.030 (6) | 0.030 (6) | 0.012 (5) | 0.011 (5) | 0.003 (4) |
C15 | 0.009 (5) | 0.025 (5) | 0.049 (6) | 0.008 (4) | −0.002 (4) | 0.011 (5) |
C20 | 0.048 (7) | 0.035 (6) | 0.029 (6) | −0.013 (5) | 0.022 (5) | −0.004 (4) |
C25 | 0.047 (7) | 0.028 (6) | 0.051 (7) | −0.013 (5) | 0.019 (6) | 0.000 (5) |
C16 | 0.012 (5) | 0.045 (6) | 0.039 (6) | 0.003 (5) | 0.010 (4) | −0.001 (5) |
C30 | 0.035 (6) | 0.015 (5) | 0.038 (6) | −0.006 (4) | 0.007 (5) | 0.014 (4) |
C5 | 0.020 (5) | 0.028 (5) | 0.023 (5) | 0.000 (4) | 0.005 (4) | 0.004 (4) |
C7 | 0.026 (6) | 0.028 (6) | 0.047 (7) | 0.007 (5) | 0.007 (5) | −0.013 (5) |
C24 | 0.029 (6) | 0.036 (6) | 0.021 (5) | −0.016 (5) | 0.008 (4) | −0.014 (4) |
C23 | 0.031 (6) | 0.036 (6) | 0.018 (5) | 0.004 (5) | 0.011 (4) | 0.000 (4) |
C28 | 0.026 (5) | 0.019 (5) | 0.022 (5) | −0.007 (4) | −0.002 (4) | 0.002 (4) |
C9 | 0.020 (5) | 0.032 (6) | 0.030 (6) | 0.006 (4) | 0.001 (4) | 0.004 (5) |
C31 | 0.035 (6) | 0.038 (6) | 0.034 (6) | −0.012 (5) | 0.003 (5) | 0.000 (5) |
C1 | 0.037 (6) | 0.020 (5) | 0.013 (5) | 0.011 (4) | 0.009 (4) | 0.009 (4) |
C8 | 0.033 (6) | 0.066 (8) | 0.023 (6) | 0.021 (6) | 0.011 (5) | 0.018 (5) |
C32 | 0.029 (6) | 0.046 (7) | 0.057 (8) | 0.000 (5) | 0.005 (6) | 0.013 (6) |
C11 | 0.038 (6) | 0.015 (5) | 0.027 (5) | 0.006 (4) | 0.018 (4) | 0.013 (4) |
C6 | 0.017 (5) | 0.021 (5) | 0.042 (6) | −0.002 (4) | 0.002 (5) | 0.006 (5) |
C2 | 0.027 (5) | 0.022 (5) | 0.018 (5) | 0.007 (4) | 0.004 (4) | 0.004 (4) |
C27 | 0.027 (5) | 0.021 (5) | 0.024 (5) | 0.004 (4) | −0.002 (4) | 0.002 (4) |
C22 | 0.020 (5) | 0.032 (6) | 0.032 (6) | 0.000 (4) | 0.006 (4) | 0.008 (5) |
C10 | 0.019 (5) | 0.020 (5) | 0.019 (5) | −0.011 (4) | −0.005 (4) | −0.005 (4) |
C21 | 0.007 (5) | 0.029 (5) | 0.029 (5) | −0.006 (4) | 0.000 (4) | 0.003 (4) |
C19 | 0.027 (6) | 0.038 (6) | 0.040 (6) | −0.004 (5) | 0.007 (5) | −0.003 (5) |
C3 | 0.031 (6) | 0.018 (5) | 0.033 (6) | 0.010 (4) | 0.009 (4) | −0.006 (4) |
Se1—C1 | 1.995 (8) | C20—H20C | 0.9800 |
Se1—Se2 | 2.3077 (13) | C25—C24 | 1.359 (12) |
Se2—Se3 | 2.3081 (14) | C25—H25 | 0.9500 |
Se3—C18 | 1.999 (8) | C16—H16 | 0.9500 |
Cl2—C18 | 1.824 (8) | C30—C31 | 1.372 (11) |
Cl1—C1 | 1.833 (8) | C30—H30 | 0.9500 |
Si2—C3 | 1.862 (8) | C5—C6 | 1.384 (11) |
Si2—C2 | 1.874 (8) | C5—H5 | 0.9500 |
Si2—C4 | 1.875 (9) | C7—C6 | 1.347 (12) |
Si2—C1 | 1.919 (8) | C7—C8 | 1.356 (12) |
Si4—C27 | 1.861 (8) | C7—H7 | 0.9500 |
Si4—C28 | 1.865 (8) | C24—C23 | 1.366 (11) |
Si4—C29 | 1.889 (9) | C24—H24 | 0.9500 |
Si4—C18 | 1.916 (9) | C23—C22 | 1.393 (11) |
Si3—C20 | 1.855 (8) | C23—H23 | 0.9500 |
Si3—C19 | 1.870 (9) | C28—H28A | 0.9800 |
Si3—C21 | 1.876 (9) | C28—H28B | 0.9800 |
Si3—C18 | 1.890 (9) | C28—H28C | 0.9800 |
Si1—C10 | 1.837 (8) | C9—C8 | 1.386 (12) |
Si1—C11 | 1.849 (7) | C9—H9 | 0.9500 |
Si1—C12 | 1.878 (8) | C31—C32 | 1.379 (12) |
Si1—C1 | 1.886 (9) | C31—H31 | 0.9500 |
C13—C14 | 1.374 (11) | C8—H8 | 0.9500 |
C13—C12 | 1.388 (10) | C32—H32 | 0.9500 |
C13—H13 | 0.9500 | C11—H11A | 0.9800 |
C34—C33 | 1.372 (11) | C11—H11B | 0.9800 |
C34—C29 | 1.405 (10) | C11—H11C | 0.9800 |
C34—H34 | 0.9500 | C6—H6 | 0.9500 |
C17—C16 | 1.359 (11) | C2—H2A | 0.9800 |
C17—C12 | 1.400 (10) | C2—H2B | 0.9800 |
C17—H17 | 0.9500 | C2—H2C | 0.9800 |
C4—C9 | 1.394 (11) | C27—H27A | 0.9800 |
C4—C5 | 1.400 (11) | C27—H27B | 0.9800 |
C29—C30 | 1.378 (11) | C27—H27C | 0.9800 |
C14—C15 | 1.412 (11) | C22—C21 | 1.417 (11) |
C14—H14 | 0.9500 | C22—H22 | 0.9500 |
C26—C21 | 1.373 (11) | C10—H10A | 0.9800 |
C26—C25 | 1.383 (11) | C10—H10B | 0.9800 |
C26—H26 | 0.9500 | C10—H10C | 0.9800 |
C33—C32 | 1.352 (12) | C19—H19A | 0.9800 |
C33—H33 | 0.9500 | C19—H19B | 0.9800 |
C15—C16 | 1.378 (11) | C19—H19C | 0.9800 |
C15—H15 | 0.9500 | C3—H3A | 0.9800 |
C20—H20A | 0.9800 | C3—H3B | 0.9800 |
C20—H20B | 0.9800 | C3—H3C | 0.9800 |
C1—Se1—Se2 | 105.9 (2) | C4—C5—H5 | 119.7 |
Se1—Se2—Se3 | 99.68 (6) | C6—C7—C8 | 119.4 (9) |
C18—Se3—Se2 | 106.2 (2) | C6—C7—H7 | 120.3 |
C3—Si2—C2 | 109.7 (4) | C8—C7—H7 | 120.3 |
C3—Si2—C4 | 110.4 (4) | C25—C24—C23 | 121.2 (8) |
C2—Si2—C4 | 108.9 (4) | C25—C24—H24 | 119.4 |
C3—Si2—C1 | 108.7 (4) | C23—C24—H24 | 119.4 |
C2—Si2—C1 | 109.9 (4) | C24—C23—C22 | 120.1 (8) |
C4—Si2—C1 | 109.2 (3) | C24—C23—H23 | 119.9 |
C27—Si4—C28 | 110.3 (4) | C22—C23—H23 | 119.9 |
C27—Si4—C29 | 109.0 (4) | Si4—C28—H28A | 109.5 |
C28—Si4—C29 | 108.4 (4) | Si4—C28—H28B | 109.5 |
C27—Si4—C18 | 110.7 (4) | H28A—C28—H28B | 109.5 |
C28—Si4—C18 | 108.7 (4) | Si4—C28—H28C | 109.5 |
C29—Si4—C18 | 109.7 (4) | H28A—C28—H28C | 109.5 |
C20—Si3—C19 | 110.3 (4) | H28B—C28—H28C | 109.5 |
C20—Si3—C21 | 107.9 (4) | C8—C9—C4 | 118.9 (9) |
C19—Si3—C21 | 109.9 (4) | C8—C9—H9 | 120.6 |
C20—Si3—C18 | 110.0 (4) | C4—C9—H9 | 120.6 |
C19—Si3—C18 | 109.0 (4) | C30—C31—C32 | 119.1 (9) |
C21—Si3—C18 | 109.8 (4) | C30—C31—H31 | 120.5 |
C10—Si1—C11 | 110.7 (4) | C32—C31—H31 | 120.5 |
C10—Si1—C12 | 110.0 (4) | Cl1—C1—Si1 | 106.5 (4) |
C11—Si1—C12 | 110.1 (4) | Cl1—C1—Si2 | 106.1 (4) |
C10—Si1—C1 | 111.5 (3) | Si1—C1—Si2 | 120.2 (4) |
C11—Si1—C1 | 106.8 (4) | Cl1—C1—Se1 | 110.7 (4) |
C12—Si1—C1 | 107.7 (4) | Si1—C1—Se1 | 111.1 (4) |
C14—C13—C12 | 122.8 (8) | Si2—C1—Se1 | 102.1 (4) |
C14—C13—H13 | 118.6 | C7—C8—C9 | 122.3 (9) |
C12—C13—H13 | 118.6 | C7—C8—H8 | 118.8 |
C33—C34—C29 | 119.4 (8) | C9—C8—H8 | 118.8 |
C33—C34—H34 | 120.3 | C33—C32—C31 | 119.4 (10) |
C29—C34—H34 | 120.3 | C33—C32—H32 | 120.3 |
C16—C17—C12 | 122.5 (8) | C31—C32—H32 | 120.3 |
C16—C17—H17 | 118.8 | Si1—C11—H11A | 109.5 |
C12—C17—H17 | 118.8 | Si1—C11—H11B | 109.5 |
C9—C4—C5 | 118.0 (8) | H11A—C11—H11B | 109.5 |
C9—C4—Si2 | 121.6 (7) | Si1—C11—H11C | 109.5 |
C5—C4—Si2 | 120.4 (6) | H11A—C11—H11C | 109.5 |
C13—C12—C17 | 116.4 (8) | H11B—C11—H11C | 109.5 |
C13—C12—Si1 | 122.1 (6) | C7—C6—C5 | 120.7 (8) |
C17—C12—Si1 | 121.3 (6) | C7—C6—H6 | 119.6 |
Cl2—C18—Si3 | 107.3 (4) | C5—C6—H6 | 119.6 |
Cl2—C18—Si4 | 105.8 (4) | Si2—C2—H2A | 109.5 |
Si3—C18—Si4 | 120.4 (4) | Si2—C2—H2B | 109.5 |
Cl2—C18—Se3 | 111.2 (4) | H2A—C2—H2B | 109.5 |
Si3—C18—Se3 | 103.1 (4) | Si2—C2—H2C | 109.5 |
Si4—C18—Se3 | 108.9 (4) | H2A—C2—H2C | 109.5 |
C30—C29—C34 | 117.3 (8) | H2B—C2—H2C | 109.5 |
C30—C29—Si4 | 121.3 (6) | Si4—C27—H27A | 109.5 |
C34—C29—Si4 | 121.4 (6) | Si4—C27—H27B | 109.5 |
C13—C14—C15 | 118.5 (7) | H27A—C27—H27B | 109.5 |
C13—C14—H14 | 120.8 | Si4—C27—H27C | 109.5 |
C15—C14—H14 | 120.8 | H27A—C27—H27C | 109.5 |
C21—C26—C25 | 122.8 (8) | H27B—C27—H27C | 109.5 |
C21—C26—H26 | 118.6 | C23—C22—C21 | 119.8 (8) |
C25—C26—H26 | 118.6 | C23—C22—H22 | 120.1 |
C32—C33—C34 | 122.2 (9) | C21—C22—H22 | 120.1 |
C32—C33—H33 | 118.9 | Si1—C10—H10A | 109.5 |
C34—C33—H33 | 118.9 | Si1—C10—H10B | 109.5 |
C16—C15—C14 | 119.7 (8) | H10A—C10—H10B | 109.5 |
C16—C15—H15 | 120.2 | Si1—C10—H10C | 109.5 |
C14—C15—H15 | 120.2 | H10A—C10—H10C | 109.5 |
Si3—C20—H20A | 109.5 | H10B—C10—H10C | 109.5 |
Si3—C20—H20B | 109.5 | C26—C21—C22 | 117.1 (8) |
H20A—C20—H20B | 109.5 | C26—C21—Si3 | 123.2 (6) |
Si3—C20—H20C | 109.5 | C22—C21—Si3 | 119.7 (6) |
H20A—C20—H20C | 109.5 | Si3—C19—H19A | 109.5 |
H20B—C20—H20C | 109.5 | Si3—C19—H19B | 109.5 |
C24—C25—C26 | 118.9 (9) | H19A—C19—H19B | 109.5 |
C24—C25—H25 | 120.6 | Si3—C19—H19C | 109.5 |
C26—C25—H25 | 120.6 | H19A—C19—H19C | 109.5 |
C17—C16—C15 | 120.1 (8) | H19B—C19—H19C | 109.5 |
C17—C16—H16 | 120.0 | Si2—C3—H3A | 109.5 |
C15—C16—H16 | 120.0 | Si2—C3—H3B | 109.5 |
C31—C30—C29 | 122.6 (8) | H3A—C3—H3B | 109.5 |
C31—C30—H30 | 118.7 | Si2—C3—H3C | 109.5 |
C29—C30—H30 | 118.7 | H3A—C3—H3C | 109.5 |
C6—C5—C4 | 120.6 (8) | H3B—C3—H3C | 109.5 |
C6—C5—H5 | 119.7 | ||
C1—Se1—Se2—Se3 | 88.4 (3) | C21—C26—C25—C24 | −0.9 (14) |
Se1—Se2—Se3—C18 | 89.3 (2) | C12—C17—C16—C15 | 1.7 (13) |
C3—Si2—C4—C9 | 43.2 (8) | C14—C15—C16—C17 | −2.3 (13) |
C2—Si2—C4—C9 | 163.7 (7) | C34—C29—C30—C31 | 2.1 (13) |
C1—Si2—C4—C9 | −76.2 (7) | Si4—C29—C30—C31 | 179.2 (7) |
C3—Si2—C4—C5 | −138.5 (7) | C9—C4—C5—C6 | 1.0 (12) |
C2—Si2—C4—C5 | −18.0 (8) | Si2—C4—C5—C6 | −177.3 (6) |
C1—Si2—C4—C5 | 102.1 (7) | C26—C25—C24—C23 | −0.2 (14) |
C14—C13—C12—C17 | 2.1 (12) | C25—C24—C23—C22 | 1.3 (13) |
C14—C13—C12—Si1 | 178.8 (6) | C5—C4—C9—C8 | −0.8 (12) |
C16—C17—C12—C13 | −1.5 (12) | Si2—C4—C9—C8 | 177.5 (6) |
C16—C17—C12—Si1 | −178.2 (7) | C29—C30—C31—C32 | −2.4 (14) |
C10—Si1—C12—C13 | 37.7 (8) | C10—Si1—C1—Cl1 | −50.9 (5) |
C11—Si1—C12—C13 | 160.0 (7) | C11—Si1—C1—Cl1 | −171.9 (4) |
C1—Si1—C12—C13 | −84.0 (7) | C12—Si1—C1—Cl1 | 69.9 (5) |
C10—Si1—C12—C17 | −145.7 (7) | C10—Si1—C1—Si2 | 69.5 (5) |
C11—Si1—C12—C17 | −23.5 (8) | C11—Si1—C1—Si2 | −51.5 (5) |
C1—Si1—C12—C17 | 92.6 (7) | C12—Si1—C1—Si2 | −169.7 (4) |
C20—Si3—C18—Cl2 | −161.8 (4) | C10—Si1—C1—Se1 | −171.5 (4) |
C19—Si3—C18—Cl2 | −40.8 (5) | C11—Si1—C1—Se1 | 67.5 (4) |
C21—Si3—C18—Cl2 | 79.7 (5) | C12—Si1—C1—Se1 | −50.7 (5) |
C20—Si3—C18—Si4 | 77.3 (6) | C3—Si2—C1—Cl1 | −40.8 (5) |
C19—Si3—C18—Si4 | −161.7 (4) | C2—Si2—C1—Cl1 | −160.9 (4) |
C21—Si3—C18—Si4 | −41.3 (6) | C4—Si2—C1—Cl1 | 79.7 (5) |
C20—Si3—C18—Se3 | −44.3 (5) | C3—Si2—C1—Si1 | −161.4 (4) |
C19—Si3—C18—Se3 | 76.7 (4) | C2—Si2—C1—Si1 | 78.5 (5) |
C21—Si3—C18—Se3 | −162.9 (3) | C4—Si2—C1—Si1 | −40.9 (6) |
C27—Si4—C18—Cl2 | −52.4 (5) | C3—Si2—C1—Se1 | 75.2 (4) |
C28—Si4—C18—Cl2 | −173.7 (4) | C2—Si2—C1—Se1 | −44.9 (5) |
C29—Si4—C18—Cl2 | 67.9 (5) | C4—Si2—C1—Se1 | −164.3 (4) |
C27—Si4—C18—Si3 | 69.3 (5) | Se2—Se1—C1—Cl1 | −38.3 (4) |
C28—Si4—C18—Si3 | −52.0 (6) | Se2—Se1—C1—Si1 | 79.7 (4) |
C29—Si4—C18—Si3 | −170.4 (4) | Se2—Se1—C1—Si2 | −151.0 (2) |
C27—Si4—C18—Se3 | −172.0 (4) | C6—C7—C8—C9 | −1.0 (14) |
C28—Si4—C18—Se3 | 66.7 (4) | C4—C9—C8—C7 | 0.8 (13) |
C29—Si4—C18—Se3 | −51.7 (5) | C34—C33—C32—C31 | −3.6 (14) |
Se2—Se3—C18—Cl2 | −38.6 (4) | C30—C31—C32—C33 | 3.0 (14) |
Se2—Se3—C18—Si3 | −153.3 (3) | C8—C7—C6—C5 | 1.2 (13) |
Se2—Se3—C18—Si4 | 77.6 (3) | C4—C5—C6—C7 | −1.2 (13) |
C33—C34—C29—C30 | −2.5 (11) | C24—C23—C22—C21 | −1.4 (13) |
C33—C34—C29—Si4 | −179.5 (6) | C25—C26—C21—C22 | 0.8 (13) |
C27—Si4—C29—C30 | −139.3 (7) | C25—C26—C21—Si3 | −179.9 (7) |
C28—Si4—C29—C30 | −19.2 (8) | C23—C22—C21—C26 | 0.4 (12) |
C18—Si4—C29—C30 | 99.3 (7) | C23—C22—C21—Si3 | −179.0 (6) |
C27—Si4—C29—C34 | 37.6 (7) | C20—Si3—C21—C26 | −13.8 (8) |
C28—Si4—C29—C34 | 157.7 (6) | C19—Si3—C21—C26 | −134.1 (7) |
C18—Si4—C29—C34 | −83.8 (7) | C18—Si3—C21—C26 | 106.1 (7) |
C12—C13—C14—C15 | −2.8 (13) | C20—Si3—C21—C22 | 165.5 (6) |
C29—C34—C33—C32 | 3.4 (13) | C19—Si3—C21—C22 | 45.2 (7) |
C13—C14—C15—C16 | 2.8 (13) | C18—Si3—C21—C22 | −74.6 (7) |