Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804011808/dn6124sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804011808/dn6124Isup2.hkl |
CCDC reference: 242057
Key indicators
- Single-crystal X-ray study
- T = 110 K
- Mean (C-C) = 0.005 Å
- R factor = 0.027
- wR factor = 0.057
- Data-to-parameter ratio = 20.5
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT213_ALERT_2_B Atom C10 has ADP max/min Ratio ............. 4.40 prolat
Alert level C ABSTM02_ALERT_3_C The ratio of Tmax/Tmin expected RT(exp) is > 1.10 Absorption corrections should be applied. Tmin and Tmax expected: 0.363 0.419 RT(exp) = 1.153 PLAT057_ALERT_3_C Correction for Absorption Required RT(exp) ... 1.14 PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) ..... 20 Ang. PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 20 Ang. PLAT145_ALERT_4_C su on beta Small or Missing (x 10000) ..... 4 Deg. PLAT213_ALERT_2_C Atom C3 has ADP max/min Ratio ............. 3.10 prolat PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.06 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.89 Ratio PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C8 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C39 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.19 PLAT301_ALERT_3_C Main Residue Disorder ......................... 16.00 Perc. PLAT412_ALERT_2_C Short Intra XH3 .. XHn H36C .. H37D .. 1.87 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 12 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 35.70 Deg. C6 -C4 -C6A 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 21.20 Deg. C10A -C8 -C10 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 28.30 Deg. C9 -C8 -C9A 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 32.40 Deg. C11A -C8 -C11 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 37.30 Deg. C37 -C35 -C37A 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 43.60 Deg. C38A -C35 -C38 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 21.50 Deg. C41A -C39 -C41 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 34.10 Deg. C40A -C39 -C40 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 28.00 Deg. C42 -C39 -C42A 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 24 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 17 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: KappaCCD Server Software (Nonius, 1997); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: SHELXL97 and WinGX (Ferrugia, 1999).
[Sn3(C4H9)6(CH3O)3O][Sn2(C4H9)2(CH3O)7] | F(000) = 2768 |
Mr = 1376.79 | Dx = 1.582 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 23813 reflections |
a = 11.5912 (1) Å | θ = 1–27.5° |
b = 21.7257 (2) Å | µ = 2.18 mm−1 |
c = 22.9487 (2) Å | T = 110 K |
β = 90.7188 (4)° | Prism, colorless |
V = 5778.65 (9) Å3 | 0.5 × 0.4 × 0.4 mm |
Z = 4 |
Nonius KappaCCD diffractometer | 10643 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.032 |
Graphite monochromator | θmax = 27.5°, θmin = 1.3° |
φ scans (κ = 0) + additional ω scans | h = −15→15 |
39184 measured reflections | k = −28→27 |
13216 independent reflections | l = −21→29 |
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)] = 0.028 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.057 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0215P)2 + 5.4899P] where P = (Fo2 + 2Fc2)/3 |
13216 reflections | (Δ/σ)max = 0.011 |
644 parameters | Δρmax = 0.57 e Å−3 |
147 restraints | Δρmin = −0.97 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 | Occ. (<1) | |
Sn1 | 0.596990 (17) | 0.300195 (9) | −0.061853 (9) | 0.02185 (5) | |
Sn2 | 0.382510 (16) | 0.188819 (9) | −0.083727 (8) | 0.01854 (5) | |
Sn3 | 0.412529 (17) | 0.260285 (9) | 0.051087 (9) | 0.01971 (5) | |
Sn4 | 0.034076 (17) | 0.038151 (10) | 0.187390 (9) | 0.02293 (5) | |
Sn5 | 0.107632 (17) | −0.032819 (9) | 0.303017 (9) | 0.02072 (5) | |
O1 | 0.52744 (17) | 0.23602 (10) | −0.13013 (9) | 0.0254 (5) | |
O2 | 0.30403 (16) | 0.19202 (9) | 0.00412 (8) | 0.0208 (4) | |
O3 | 0.55731 (18) | 0.32433 (10) | 0.02906 (9) | 0.0292 (5) | |
O4 | 0.46874 (16) | 0.24738 (9) | −0.03088 (8) | 0.0226 (5) | |
O5 | 0.16012 (18) | 0.06978 (9) | 0.13469 (9) | 0.0273 (5) | |
O6 | −0.0540 (2) | −0.01515 (12) | 0.13021 (9) | 0.0421 (6) | |
O7 | 0.27651 (19) | −0.04485 (11) | 0.32407 (10) | 0.0370 (6) | |
O8 | 0.0531 (2) | −0.12088 (10) | 0.30541 (11) | 0.0439 (6) | |
O9 | 0.12761 (17) | 0.05863 (9) | 0.26713 (8) | 0.0213 (4) | |
O10 | −0.05163 (17) | −0.00602 (10) | 0.25884 (9) | 0.0271 (5) | |
O11 | 0.14240 (18) | −0.04040 (9) | 0.21117 (9) | 0.0230 (5) | |
C1 | 0.5684 (3) | 0.2247 (2) | −0.18757 (15) | 0.0584 (13) | |
H1A | 0.6046 | 0.2612 | −0.2022 | 0.088* | |
H1B | 0.5047 | 0.2137 | −0.2126 | 0.088* | |
H1C | 0.6234 | 0.1917 | −0.1865 | 0.088* | |
C2 | 0.2005 (2) | 0.16208 (14) | 0.02332 (14) | 0.0278 (7) | |
H2A | 0.1348 | 0.1870 | 0.0132 | 0.042* | |
H2B | 0.2041 | 0.1567 | 0.0648 | 0.042* | |
H2C | 0.1936 | 0.1226 | 0.0048 | 0.042* | |
C4 | 0.5620 (3) | 0.38786 (15) | −0.10651 (16) | 0.0372 (9) | |
C5 | 0.6503 (6) | 0.3945 (3) | −0.1539 (3) | 0.0405 (18) | 0.49 |
H5A | 0.7263 | 0.3896 | −0.1375 | 0.061* | 0.49 |
H5B | 0.6435 | 0.4345 | −0.1713 | 0.061* | 0.49 |
H5C | 0.6371 | 0.3635 | −0.1831 | 0.061* | 0.49 |
C6 | 0.4419 (6) | 0.3939 (3) | −0.1210 (4) | 0.0349 (17) | 0.49 |
H6A | 0.3969 | 0.3889 | −0.0865 | 0.052* | 0.49 |
H6B | 0.4204 | 0.3629 | −0.1489 | 0.052* | 0.49 |
H6C | 0.4278 | 0.4339 | −0.1373 | 0.052* | 0.49 |
C7 | 0.5958 (7) | 0.4428 (3) | −0.0596 (3) | 0.0375 (17) | 0.49 |
H7A | 0.6759 | 0.4395 | −0.0489 | 0.056* | 0.49 |
H7B | 0.5494 | 0.4386 | −0.0255 | 0.056* | 0.49 |
H7C | 0.5817 | 0.4822 | −0.0772 | 0.056* | 0.49 |
C5A | 0.5379 (6) | 0.3729 (3) | −0.1757 (3) | 0.0396 (17) | 0.51 |
H5A1 | 0.4717 | 0.3466 | −0.1795 | 0.059* | 0.51 |
H5A2 | 0.6040 | 0.3528 | −0.1917 | 0.059* | 0.51 |
H5A3 | 0.5238 | 0.4107 | −0.1963 | 0.059* | 0.51 |
C6A | 0.4481 (6) | 0.4156 (3) | −0.0872 (3) | 0.0354 (17) | 0.51 |
H6A1 | 0.3883 | 0.3852 | −0.0903 | 0.053* | 0.51 |
H6A2 | 0.4291 | 0.4501 | −0.1116 | 0.053* | 0.51 |
H6A3 | 0.4551 | 0.4291 | −0.0475 | 0.053* | 0.51 |
C7A | 0.6606 (6) | 0.4288 (3) | −0.1039 (4) | 0.051 (2) | 0.51 |
H7A1 | 0.7280 | 0.4074 | −0.1169 | 0.076* | 0.51 |
H7A2 | 0.6726 | 0.4426 | −0.0646 | 0.076* | 0.51 |
H7A3 | 0.6466 | 0.4637 | −0.1287 | 0.076* | 0.51 |
C8 | 0.7750 (2) | 0.26729 (15) | −0.05191 (14) | 0.0287 (7) | |
C9 | 0.8184 (8) | 0.2411 (4) | −0.1077 (4) | 0.041 (2) | 0.56 |
H9A | 0.7705 | 0.2071 | −0.1194 | 0.062* | 0.56 |
H9B | 0.8963 | 0.2271 | −0.1022 | 0.062* | 0.56 |
H9C | 0.8161 | 0.2722 | −0.1374 | 0.062* | 0.56 |
C10 | 0.8477 (13) | 0.3210 (6) | −0.0299 (6) | 0.047 (3) | 0.56 |
H10A | 0.8167 | 0.3360 | 0.0060 | 0.071* | 0.56 |
H10B | 0.8466 | 0.3533 | −0.0584 | 0.071* | 0.56 |
H10C | 0.9257 | 0.3075 | −0.0235 | 0.071* | 0.56 |
C11 | 0.7804 (7) | 0.2176 (4) | −0.0029 (4) | 0.050 (2) | 0.56 |
H11A | 0.7526 | 0.2348 | 0.0328 | 0.074* | 0.56 |
H11B | 0.8588 | 0.2042 | 0.0026 | 0.074* | 0.56 |
H11C | 0.7333 | 0.1831 | −0.0139 | 0.074* | 0.56 |
C9A | 0.8291 (10) | 0.2745 (5) | −0.1133 (4) | 0.048 (3) | 0.44 |
H9A1 | 0.7897 | 0.2481 | −0.1404 | 0.071* | 0.44 |
H9A2 | 0.9092 | 0.2635 | −0.1113 | 0.071* | 0.44 |
H9A3 | 0.8218 | 0.3165 | −0.1259 | 0.071* | 0.44 |
C10A | 0.842 (2) | 0.3069 (8) | −0.0100 (8) | 0.074 (8) | 0.44 |
H10D | 0.8401 | 0.3488 | −0.0232 | 0.111* | 0.44 |
H10E | 0.9202 | 0.2928 | −0.0077 | 0.111* | 0.44 |
H10F | 0.8076 | 0.3043 | 0.0279 | 0.111* | 0.44 |
C11A | 0.7782 (10) | 0.2000 (4) | −0.0363 (5) | 0.053 (3) | 0.44 |
H11D | 0.7358 | 0.1769 | −0.0650 | 0.080* | 0.44 |
H11E | 0.7441 | 0.1942 | 0.0012 | 0.080* | 0.44 |
H11F | 0.8568 | 0.1861 | −0.0350 | 0.080* | 0.44 |
C12 | 0.2342 (2) | 0.22090 (14) | −0.13450 (13) | 0.0242 (7) | |
C13 | 0.1390 (3) | 0.17241 (16) | −0.12960 (16) | 0.0358 (8) | |
H13A | 0.0750 | 0.1837 | −0.1543 | 0.054* | |
H13B | 0.1140 | 0.1700 | −0.0899 | 0.054* | |
H13C | 0.1684 | 0.1331 | −0.1414 | 0.054* | |
C14 | 0.2671 (3) | 0.22855 (19) | −0.19808 (15) | 0.0434 (10) | |
H14A | 0.2002 | 0.2400 | −0.2206 | 0.065* | |
H14B | 0.2972 | 0.1904 | −0.2125 | 0.065* | |
H14C | 0.3248 | 0.2600 | −0.2012 | 0.065* | |
C15 | 0.1908 (3) | 0.28159 (15) | −0.10982 (17) | 0.0388 (9) | |
H15A | 0.2503 | 0.3122 | −0.1127 | 0.058* | |
H15B | 0.1710 | 0.2761 | −0.0697 | 0.058* | |
H15C | 0.1239 | 0.2948 | −0.1315 | 0.058* | |
C16 | 0.4405 (3) | 0.09345 (15) | −0.09080 (14) | 0.0299 (7) | |
C17 | 0.4341 (4) | 0.07538 (18) | −0.15522 (16) | 0.0480 (10) | |
H17A | 0.4555 | 0.0329 | −0.1594 | 0.072* | |
H17B | 0.4859 | 0.1007 | −0.1770 | 0.072* | |
H17C | 0.3567 | 0.0812 | −0.1696 | 0.072* | |
C18 | 0.3613 (3) | 0.05191 (16) | −0.05602 (19) | 0.0502 (11) | |
H18A | 0.3886 | 0.0103 | −0.0580 | 0.075* | |
H18B | 0.2845 | 0.0541 | −0.0720 | 0.075* | |
H18C | 0.3609 | 0.0651 | −0.0161 | 0.075* | |
C19 | 0.5649 (3) | 0.08760 (18) | −0.06872 (17) | 0.0453 (10) | |
H19A | 0.5695 | 0.1005 | −0.0287 | 0.068* | |
H19B | 0.6141 | 0.1131 | −0.0918 | 0.068* | |
H19C | 0.5893 | 0.0455 | −0.0717 | 0.068* | |
C20 | 0.2877 (3) | 0.32999 (15) | 0.07809 (14) | 0.0285 (7) | |
C21 | 0.2783 (4) | 0.38084 (16) | 0.03245 (16) | 0.0453 (10) | |
H21A | 0.2508 | 0.3637 | −0.0037 | 0.068* | |
H21B | 0.3528 | 0.3990 | 0.0269 | 0.068* | |
H21C | 0.2253 | 0.4117 | 0.0455 | 0.068* | |
C22 | 0.1714 (3) | 0.30047 (18) | 0.0890 (2) | 0.0506 (11) | |
H22A | 0.1215 | 0.3298 | 0.1073 | 0.076* | |
H22B | 0.1814 | 0.2654 | 0.1141 | 0.076* | |
H22C | 0.1377 | 0.2875 | 0.0526 | 0.076* | |
C23 | 0.3344 (3) | 0.35764 (18) | 0.13528 (15) | 0.0445 (10) | |
H23A | 0.2830 | 0.3893 | 0.1484 | 0.067* | |
H23B | 0.4094 | 0.3750 | 0.1289 | 0.067* | |
H23C | 0.3401 | 0.3260 | 0.1643 | 0.067* | |
C24 | 0.4916 (3) | 0.20117 (15) | 0.11762 (13) | 0.0278 (7) | |
C25 | 0.3981 (3) | 0.18374 (17) | 0.16105 (14) | 0.0379 (9) | |
H25A | 0.3386 | 0.1608 | 0.1414 | 0.057* | |
H25B | 0.3657 | 0.2204 | 0.1774 | 0.057* | |
H25C | 0.4313 | 0.1591 | 0.1916 | 0.057* | |
C26 | 0.5876 (3) | 0.23711 (18) | 0.14927 (16) | 0.0440 (9) | |
H26A | 0.6230 | 0.2113 | 0.1784 | 0.066* | |
H26B | 0.5553 | 0.2728 | 0.1675 | 0.066* | |
H26C | 0.6446 | 0.2496 | 0.1217 | 0.066* | |
C27 | 0.5394 (3) | 0.14296 (16) | 0.08968 (15) | 0.0364 (8) | |
H27A | 0.5998 | 0.1538 | 0.0633 | 0.055* | |
H27B | 0.4788 | 0.1222 | 0.0687 | 0.055* | |
H27C | 0.5698 | 0.1163 | 0.1195 | 0.055* | |
C28 | 0.2485 (3) | 0.03195 (15) | 0.11452 (15) | 0.0318 (8) | |
H28A | 0.2877 | 0.0132 | 0.1471 | 0.048* | |
H28B | 0.3023 | 0.0562 | 0.0928 | 0.048* | |
H28C | 0.2164 | 0.0005 | 0.0898 | 0.048* | |
C29 | −0.0344 (4) | −0.0118 (2) | 0.07011 (15) | 0.0564 (12) | |
H29A | 0.0199 | 0.0204 | 0.0624 | 0.085* | |
H29B | −0.1058 | −0.0032 | 0.0500 | 0.085* | |
H29C | −0.0040 | −0.0503 | 0.0568 | 0.085* | |
C30 | 0.3625 (3) | −0.06293 (19) | 0.28512 (16) | 0.0466 (10) | |
H30A | 0.3627 | −0.1070 | 0.2817 | 0.070* | |
H30B | 0.4364 | −0.0493 | 0.2994 | 0.070* | |
H30C | 0.3474 | −0.0449 | 0.2476 | 0.070* | |
C31 | 0.1272 (5) | −0.16875 (18) | 0.3229 (2) | 0.0704 (14) | |
H31A | 0.1499 | −0.1920 | 0.2894 | 0.106* | |
H31B | 0.0880 | −0.1952 | 0.3497 | 0.106* | |
H31C | 0.1945 | −0.1517 | 0.3417 | 0.106* | |
C32 | 0.2396 (3) | 0.08594 (16) | 0.26547 (15) | 0.0355 (8) | |
H32A | 0.2881 | 0.0623 | 0.2403 | 0.053* | |
H32B | 0.2726 | 0.0866 | 0.3040 | 0.053* | |
H32C | 0.2333 | 0.1273 | 0.2510 | 0.053* | |
C33 | −0.1492 (3) | −0.0448 (2) | 0.25208 (16) | 0.0540 (12) | |
H33A | −0.1746 | −0.0444 | 0.2121 | 0.081* | |
H33B | −0.2102 | −0.0303 | 0.2764 | 0.081* | |
H33C | −0.1288 | −0.0861 | 0.2632 | 0.081* | |
C34 | 0.1396 (3) | −0.09758 (15) | 0.18138 (15) | 0.0375 (8) | |
H34A | 0.2099 | −0.1196 | 0.1892 | 0.056* | |
H34B | 0.1318 | −0.0904 | 0.1402 | 0.056* | |
H34C | 0.0753 | −0.1214 | 0.1946 | 0.056* | |
C35 | −0.0653 (4) | 0.1234 (2) | 0.18763 (16) | 0.0579 (11) | |
C39 | 0.0554 (3) | −0.00185 (15) | 0.38902 (13) | 0.0256 (7) | |
C40 | 0.0699 (5) | −0.0580 (3) | 0.4303 (3) | 0.0315 (13) | 0.60 |
H40A | 0.0232 | −0.0915 | 0.4163 | 0.047* | 0.60 |
H40B | 0.0461 | −0.0468 | 0.4688 | 0.047* | 0.60 |
H40C | 0.1494 | −0.0704 | 0.4314 | 0.047* | 0.60 |
C41 | −0.0724 (8) | 0.0140 (4) | 0.3867 (4) | 0.0399 (19) | 0.60 |
H41A | −0.1157 | −0.0216 | 0.3747 | 0.060* | 0.60 |
H41B | −0.0853 | 0.0468 | 0.3594 | 0.060* | 0.60 |
H41C | −0.0970 | 0.0268 | 0.4247 | 0.060* | 0.60 |
C42 | 0.1248 (8) | 0.0494 (4) | 0.4083 (4) | 0.058 (2) | 0.60 |
H42A | 0.2046 | 0.0375 | 0.4090 | 0.087* | 0.60 |
H42B | 0.1020 | 0.0614 | 0.4467 | 0.087* | 0.60 |
H42C | 0.1141 | 0.0833 | 0.3819 | 0.087* | 0.60 |
C40A | 0.1273 (11) | −0.0310 (6) | 0.4360 (5) | 0.056 (2) | 0.40 |
H40D | 0.2074 | −0.0233 | 0.4288 | 0.084* | 0.40 |
H40E | 0.1136 | −0.0746 | 0.4364 | 0.084* | 0.40 |
H40F | 0.1071 | −0.0138 | 0.4731 | 0.084* | 0.40 |
C41A | −0.0696 (12) | −0.0094 (6) | 0.3970 (6) | 0.041 (3) | 0.40 |
H41D | −0.1105 | 0.0127 | 0.3670 | 0.061* | 0.40 |
H41E | −0.0906 | 0.0066 | 0.4344 | 0.061* | 0.40 |
H41F | −0.0891 | −0.0523 | 0.3949 | 0.061* | 0.40 |
C42A | 0.0799 (11) | 0.0713 (5) | 0.3956 (6) | 0.041 (2) | 0.40 |
H42D | 0.0391 | 0.0931 | 0.3654 | 0.062* | 0.40 |
H42E | 0.1611 | 0.0789 | 0.3924 | 0.062* | 0.40 |
H42F | 0.0540 | 0.0851 | 0.4330 | 0.062* | 0.40 |
C3 | 0.6069 (4) | 0.3733 (2) | 0.0633 (2) | 0.0663 (15) | |
H3A | 0.6800 | 0.3847 | 0.0474 | 0.099* | |
H3B | 0.6177 | 0.3596 | 0.1028 | 0.099* | |
H3C | 0.5561 | 0.4081 | 0.0626 | 0.099* | |
C36 | −0.0909 (4) | 0.1441 (2) | 0.12675 (17) | 0.0603 (13) | |
H36A | −0.0210 | 0.1443 | 0.1048 | 0.091* | |
H36B | −0.1230 | 0.1848 | 0.1275 | 0.091* | |
H36C | −0.1453 | 0.1164 | 0.1088 | 0.091* | |
C37 | −0.1641 (6) | 0.1244 (4) | 0.2277 (3) | 0.0663 (19) | 0.67 |
H37A | −0.1393 | 0.1107 | 0.2656 | 0.099* | 0.67 |
H37B | −0.2237 | 0.0976 | 0.2132 | 0.099* | 0.67 |
H37C | −0.1936 | 0.1656 | 0.2304 | 0.099* | 0.67 |
C38 | 0.0212 (6) | 0.1762 (3) | 0.2112 (3) | 0.0620 (17) | 0.67 |
H38A | 0.0880 | 0.1778 | 0.1869 | 0.093* | 0.67 |
H38B | 0.0446 | 0.1670 | 0.2505 | 0.093* | 0.67 |
H38C | −0.0174 | 0.2153 | 0.2102 | 0.093* | 0.67 |
C37A | −0.1902 (9) | 0.0939 (6) | 0.1982 (7) | 0.072 (3) | 0.33 |
H37D | −0.2096 | 0.0668 | 0.1665 | 0.108* | 0.33 |
H37E | −0.2466 | 0.1262 | 0.2004 | 0.108* | 0.33 |
H37F | −0.1891 | 0.0711 | 0.2341 | 0.108* | 0.33 |
C38A | −0.0539 (14) | 0.1602 (7) | 0.2392 (5) | 0.074 (3) | 0.33 |
H38D | −0.0371 | 0.1341 | 0.2720 | 0.110* | 0.33 |
H38E | −0.1247 | 0.1819 | 0.2458 | 0.110* | 0.33 |
H38F | 0.0077 | 0.1892 | 0.2345 | 0.110* | 0.33 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.01762 (10) | 0.02221 (11) | 0.02591 (12) | −0.00093 (8) | 0.00773 (8) | 0.00010 (9) |
Sn2 | 0.01500 (10) | 0.02292 (11) | 0.01774 (10) | 0.00176 (8) | 0.00128 (8) | −0.00152 (8) |
Sn3 | 0.01915 (10) | 0.02316 (11) | 0.01694 (10) | 0.00270 (8) | 0.00515 (8) | −0.00209 (8) |
Sn4 | 0.01984 (10) | 0.03195 (12) | 0.01710 (11) | 0.00354 (9) | 0.00426 (8) | 0.00398 (9) |
Sn5 | 0.02446 (11) | 0.01906 (10) | 0.01876 (11) | 0.00172 (8) | 0.00513 (8) | 0.00242 (8) |
O1 | 0.0221 (11) | 0.0383 (13) | 0.0160 (10) | −0.0019 (9) | 0.0058 (9) | −0.0025 (9) |
O2 | 0.0178 (10) | 0.0239 (11) | 0.0207 (11) | −0.0019 (8) | 0.0057 (8) | −0.0004 (9) |
O3 | 0.0276 (12) | 0.0284 (12) | 0.0319 (13) | −0.0075 (9) | 0.0110 (10) | −0.0135 (10) |
O4 | 0.0219 (11) | 0.0267 (11) | 0.0192 (11) | −0.0065 (9) | 0.0075 (9) | −0.0039 (9) |
O5 | 0.0287 (12) | 0.0275 (12) | 0.0260 (12) | 0.0031 (9) | 0.0115 (10) | 0.0053 (10) |
O6 | 0.0361 (14) | 0.0745 (19) | 0.0156 (12) | −0.0201 (13) | 0.0006 (10) | 0.0029 (12) |
O7 | 0.0292 (12) | 0.0551 (16) | 0.0268 (13) | 0.0164 (11) | 0.0054 (10) | 0.0066 (11) |
O8 | 0.0704 (18) | 0.0199 (12) | 0.0418 (15) | −0.0079 (12) | 0.0151 (13) | 0.0033 (11) |
O9 | 0.0232 (11) | 0.0202 (10) | 0.0207 (11) | −0.0004 (8) | 0.0037 (9) | 0.0020 (9) |
O10 | 0.0190 (11) | 0.0419 (13) | 0.0207 (11) | −0.0070 (9) | 0.0049 (9) | 0.0038 (10) |
O11 | 0.0313 (12) | 0.0188 (10) | 0.0192 (11) | 0.0015 (9) | 0.0065 (9) | −0.0025 (9) |
C1 | 0.040 (2) | 0.115 (4) | 0.0207 (19) | −0.021 (2) | 0.0133 (17) | −0.016 (2) |
C2 | 0.0195 (15) | 0.0290 (17) | 0.0351 (19) | −0.0025 (13) | 0.0089 (14) | 0.0046 (15) |
C4 | 0.0365 (19) | 0.0263 (18) | 0.049 (2) | 0.0013 (15) | 0.0182 (17) | 0.0115 (16) |
C5 | 0.055 (5) | 0.029 (4) | 0.038 (4) | −0.008 (3) | 0.017 (4) | 0.006 (3) |
C6 | 0.036 (4) | 0.029 (4) | 0.039 (5) | 0.003 (3) | −0.006 (4) | 0.015 (4) |
C7 | 0.050 (5) | 0.020 (3) | 0.042 (4) | −0.008 (3) | 0.008 (4) | 0.005 (3) |
C5A | 0.044 (4) | 0.036 (4) | 0.039 (4) | 0.012 (3) | 0.009 (3) | 0.009 (3) |
C6A | 0.047 (4) | 0.025 (4) | 0.034 (4) | 0.005 (3) | 0.003 (4) | 0.007 (3) |
C7A | 0.042 (4) | 0.036 (4) | 0.073 (6) | −0.014 (3) | −0.001 (4) | 0.014 (4) |
C8 | 0.0132 (14) | 0.0355 (18) | 0.0375 (19) | −0.0016 (13) | 0.0043 (13) | −0.0052 (15) |
C9 | 0.024 (4) | 0.049 (5) | 0.050 (5) | 0.012 (4) | −0.002 (3) | −0.025 (5) |
C10 | 0.022 (4) | 0.047 (6) | 0.072 (9) | 0.006 (4) | −0.033 (5) | −0.022 (6) |
C11 | 0.025 (4) | 0.058 (6) | 0.066 (6) | 0.016 (4) | 0.008 (5) | 0.016 (5) |
C9A | 0.022 (5) | 0.072 (8) | 0.049 (6) | 0.000 (6) | 0.015 (4) | −0.021 (7) |
C10A | 0.066 (10) | 0.065 (12) | 0.089 (15) | 0.024 (8) | −0.040 (11) | −0.029 (11) |
C11A | 0.027 (5) | 0.043 (6) | 0.090 (10) | 0.011 (4) | 0.012 (7) | 0.001 (6) |
C12 | 0.0173 (15) | 0.0299 (17) | 0.0253 (17) | 0.0013 (12) | −0.0043 (13) | 0.0002 (14) |
C13 | 0.0245 (17) | 0.039 (2) | 0.044 (2) | −0.0071 (15) | −0.0089 (16) | −0.0022 (17) |
C14 | 0.0302 (19) | 0.073 (3) | 0.0270 (19) | 0.0000 (18) | −0.0066 (16) | 0.0101 (19) |
C15 | 0.038 (2) | 0.0295 (19) | 0.049 (2) | 0.0069 (15) | −0.0144 (18) | −0.0011 (17) |
C16 | 0.0293 (17) | 0.0274 (17) | 0.0329 (19) | 0.0114 (14) | 0.0017 (15) | −0.0065 (15) |
C17 | 0.060 (3) | 0.042 (2) | 0.042 (2) | 0.0160 (19) | −0.006 (2) | −0.0215 (18) |
C18 | 0.057 (3) | 0.0209 (18) | 0.073 (3) | 0.0072 (17) | 0.021 (2) | 0.0016 (19) |
C19 | 0.037 (2) | 0.055 (2) | 0.044 (2) | 0.0247 (18) | 0.0025 (18) | −0.0041 (19) |
C20 | 0.0284 (17) | 0.0281 (17) | 0.0291 (18) | 0.0104 (14) | 0.0089 (14) | −0.0029 (14) |
C21 | 0.064 (3) | 0.033 (2) | 0.040 (2) | 0.0165 (18) | 0.003 (2) | −0.0019 (17) |
C22 | 0.033 (2) | 0.045 (2) | 0.074 (3) | 0.0090 (17) | 0.023 (2) | −0.010 (2) |
C23 | 0.052 (2) | 0.046 (2) | 0.035 (2) | 0.0139 (19) | 0.0099 (18) | −0.0137 (18) |
C24 | 0.0272 (17) | 0.0346 (18) | 0.0215 (16) | 0.0044 (14) | −0.0018 (13) | 0.0000 (14) |
C25 | 0.046 (2) | 0.043 (2) | 0.0250 (18) | 0.0073 (17) | 0.0038 (16) | 0.0075 (16) |
C26 | 0.037 (2) | 0.057 (2) | 0.038 (2) | 0.0051 (18) | −0.0123 (17) | −0.0091 (19) |
C27 | 0.0359 (19) | 0.036 (2) | 0.037 (2) | 0.0120 (16) | 0.0009 (16) | 0.0017 (16) |
C28 | 0.0283 (17) | 0.0365 (19) | 0.0309 (19) | 0.0011 (14) | 0.0126 (15) | 0.0034 (15) |
C29 | 0.050 (2) | 0.100 (4) | 0.0196 (19) | −0.030 (2) | 0.0002 (17) | 0.002 (2) |
C30 | 0.037 (2) | 0.066 (3) | 0.037 (2) | 0.0236 (19) | 0.0063 (17) | 0.008 (2) |
C31 | 0.112 (4) | 0.023 (2) | 0.077 (3) | 0.007 (2) | 0.025 (3) | 0.015 (2) |
C32 | 0.041 (2) | 0.036 (2) | 0.0304 (19) | −0.0157 (16) | 0.0052 (16) | −0.0001 (15) |
C33 | 0.038 (2) | 0.094 (3) | 0.030 (2) | −0.035 (2) | 0.0052 (17) | −0.002 (2) |
C34 | 0.055 (2) | 0.0228 (17) | 0.035 (2) | −0.0017 (16) | 0.0130 (17) | −0.0090 (15) |
C35 | 0.063 (2) | 0.077 (3) | 0.034 (2) | 0.049 (2) | 0.0112 (19) | 0.0181 (19) |
C39 | 0.0330 (16) | 0.0284 (16) | 0.0155 (14) | −0.0003 (13) | 0.0041 (13) | −0.0001 (13) |
C40 | 0.038 (3) | 0.041 (3) | 0.016 (3) | 0.012 (3) | 0.008 (3) | 0.011 (3) |
C41 | 0.050 (3) | 0.050 (5) | 0.020 (3) | 0.020 (4) | 0.004 (3) | 0.011 (3) |
C42 | 0.087 (6) | 0.058 (5) | 0.029 (4) | −0.043 (4) | 0.016 (4) | −0.009 (4) |
C40A | 0.071 (6) | 0.067 (6) | 0.030 (4) | 0.032 (5) | 0.010 (5) | 0.005 (5) |
C41A | 0.045 (4) | 0.047 (6) | 0.031 (6) | −0.015 (5) | 0.019 (4) | −0.013 (5) |
C42A | 0.065 (6) | 0.033 (5) | 0.025 (5) | −0.019 (4) | 0.018 (5) | −0.015 (4) |
C3 | 0.059 (3) | 0.063 (3) | 0.078 (3) | −0.038 (2) | 0.035 (2) | −0.052 (3) |
C36 | 0.065 (3) | 0.070 (3) | 0.047 (3) | 0.037 (2) | 0.013 (2) | 0.025 (2) |
C37 | 0.074 (4) | 0.086 (5) | 0.039 (3) | 0.056 (3) | 0.028 (3) | 0.015 (3) |
C38 | 0.079 (4) | 0.047 (3) | 0.060 (4) | 0.042 (3) | −0.002 (3) | −0.002 (3) |
C37A | 0.074 (5) | 0.084 (7) | 0.058 (6) | 0.058 (5) | 0.025 (5) | 0.017 (5) |
C38A | 0.085 (5) | 0.080 (5) | 0.056 (5) | 0.053 (5) | 0.011 (5) | 0.002 (5) |
Sn1—O4 | 2.0145 (19) | C16—C18 | 1.521 (5) |
Sn1—C8 | 2.193 (3) | C16—C19 | 1.528 (5) |
Sn1—C4 | 2.198 (3) | C16—C17 | 1.531 (5) |
Sn1—O3 | 2.205 (2) | C17—H17A | 0.9600 |
Sn1—O1 | 2.240 (2) | C17—H17B | 0.9600 |
Sn2—O4 | 2.0144 (19) | C17—H17C | 0.9600 |
Sn2—C12 | 2.179 (3) | C18—H18A | 0.9600 |
Sn2—C16 | 2.185 (3) | C18—H18B | 0.9600 |
Sn2—O2 | 2.2231 (19) | C18—H18C | 0.9600 |
Sn2—O1 | 2.248 (2) | C19—H19A | 0.9600 |
Sn3—O4 | 2.0180 (19) | C19—H19B | 0.9600 |
Sn3—C24 | 2.188 (3) | C19—H19C | 0.9600 |
Sn3—C20 | 2.189 (3) | C20—C22 | 1.516 (5) |
Sn3—O2 | 2.2156 (19) | C20—C21 | 1.525 (5) |
Sn3—O3 | 2.243 (2) | C20—C23 | 1.536 (5) |
Sn4—O6 | 2.018 (2) | C21—H21A | 0.9600 |
Sn4—O5 | 2.028 (2) | C21—H21B | 0.9600 |
Sn4—O10 | 2.153 (2) | C21—H21C | 0.9600 |
Sn4—O9 | 2.162 (2) | C22—H22A | 0.9600 |
Sn4—C35 | 2.181 (4) | C22—H22B | 0.9600 |
Sn4—O11 | 2.184 (2) | C22—H22C | 0.9600 |
Sn4—Sn5 | 3.1763 (3) | C23—H23A | 0.9600 |
Sn5—O8 | 2.016 (2) | C23—H23B | 0.9600 |
Sn5—O7 | 2.027 (2) | C23—H23C | 0.9600 |
Sn5—O11 | 2.157 (2) | C24—C27 | 1.525 (4) |
Sn5—O9 | 2.1641 (19) | C24—C25 | 1.529 (4) |
Sn5—O10 | 2.174 (2) | C24—C26 | 1.535 (5) |
Sn5—C39 | 2.178 (3) | C25—H25A | 0.9600 |
O1—C1 | 1.428 (4) | C25—H25B | 0.9600 |
O2—C2 | 1.439 (3) | C25—H25C | 0.9600 |
O3—C3 | 1.437 (4) | C26—H26A | 0.9600 |
O5—C28 | 1.397 (4) | C26—H26B | 0.9600 |
O6—C29 | 1.402 (4) | C26—H26C | 0.9600 |
O7—C30 | 1.404 (4) | C27—H27A | 0.9600 |
O8—C31 | 1.404 (5) | C27—H27B | 0.9600 |
O9—C32 | 1.428 (4) | C27—H27C | 0.9600 |
O10—C33 | 1.418 (4) | C28—H28A | 0.9600 |
O11—C34 | 1.418 (4) | C28—H28B | 0.9600 |
C1—H1A | 0.9600 | C28—H28C | 0.9600 |
C1—H1B | 0.9600 | C29—H29A | 0.9600 |
C1—H1C | 0.9600 | C29—H29B | 0.9600 |
C2—H2A | 0.9600 | C29—H29C | 0.9600 |
C2—H2B | 0.9600 | C30—H30A | 0.9600 |
C2—H2C | 0.9600 | C30—H30B | 0.9600 |
C4—C6 | 1.434 (7) | C30—H30C | 0.9600 |
C4—C7A | 1.449 (7) | C31—H31A | 0.9600 |
C4—C5 | 1.509 (7) | C31—H31B | 0.9600 |
C4—C6A | 1.523 (7) | C31—H31C | 0.9600 |
C4—C5A | 1.640 (7) | C32—H32A | 0.9600 |
C4—C7 | 1.651 (7) | C32—H32B | 0.9600 |
C5—H5A | 0.9600 | C32—H32C | 0.9600 |
C5—H5B | 0.9600 | C33—H33A | 0.9600 |
C5—H5C | 0.9600 | C33—H33B | 0.9600 |
C6—H6A | 0.9600 | C33—H33C | 0.9600 |
C6—H6B | 0.9600 | C34—H34A | 0.9600 |
C6—H6C | 0.9600 | C34—H34B | 0.9600 |
C7—H7A | 0.9600 | C34—H34C | 0.9600 |
C7—H7B | 0.9600 | C35—C38A | 1.434 (9) |
C7—H7C | 0.9600 | C35—C37 | 1.479 (6) |
C5A—H5A1 | 0.9600 | C35—C36 | 1.494 (5) |
C5A—H5A2 | 0.9600 | C35—C37A | 1.604 (9) |
C5A—H5A3 | 0.9600 | C35—C38 | 1.614 (7) |
C6A—H6A1 | 0.9600 | C39—C42 | 1.439 (9) |
C6A—H6A2 | 0.9600 | C39—C41A | 1.471 (14) |
C6A—H6A3 | 0.9600 | C39—C40A | 1.496 (11) |
C7A—H7A1 | 0.9600 | C39—C41 | 1.521 (10) |
C7A—H7A2 | 0.9600 | C39—C40 | 1.553 (6) |
C7A—H7A3 | 0.9600 | C39—C42A | 1.621 (11) |
C8—C9 | 1.494 (8) | C40—H40A | 0.9600 |
C8—C10A | 1.499 (12) | C40—H40B | 0.9600 |
C8—C11A | 1.505 (9) | C40—H40C | 0.9600 |
C8—C10 | 1.521 (9) | C41—H41A | 0.9600 |
C8—C9A | 1.556 (9) | C41—H41B | 0.9600 |
C8—C11 | 1.560 (8) | C41—H41C | 0.9600 |
C9—H9A | 0.9600 | C42—H42A | 0.9600 |
C9—H9B | 0.9600 | C42—H42B | 0.9600 |
C9—H9C | 0.9600 | C42—H42C | 0.9600 |
C10—H10A | 0.9600 | C40A—H40D | 0.9600 |
C10—H10B | 0.9600 | C40A—H40E | 0.9600 |
C10—H10C | 0.9600 | C40A—H40F | 0.9600 |
C11—H11A | 0.9600 | C41A—H41D | 0.9600 |
C11—H11B | 0.9600 | C41A—H41E | 0.9600 |
C11—H11C | 0.9600 | C41A—H41F | 0.9600 |
C9A—H9A1 | 0.9600 | C42A—H42D | 0.9600 |
C9A—H9A2 | 0.9600 | C42A—H42E | 0.9600 |
C9A—H9A3 | 0.9600 | C42A—H42F | 0.9600 |
C10A—H10D | 0.9600 | C3—H3A | 0.9600 |
C10A—H10E | 0.9600 | C3—H3B | 0.9600 |
C10A—H10F | 0.9600 | C3—H3C | 0.9600 |
C11A—H11D | 0.9600 | C36—H36A | 0.9600 |
C11A—H11E | 0.9600 | C36—H36B | 0.9600 |
C11A—H11F | 0.9600 | C36—H36C | 0.9600 |
C12—C14 | 1.522 (4) | C37—H37A | 0.9600 |
C12—C15 | 1.523 (4) | C37—H37B | 0.9600 |
C12—C13 | 1.530 (4) | C37—H37C | 0.9600 |
C13—H13A | 0.9600 | C38—H38A | 0.9600 |
C13—H13B | 0.9600 | C38—H38B | 0.9600 |
C13—H13C | 0.9600 | C38—H38C | 0.9600 |
C14—H14A | 0.9600 | C37A—H37D | 0.9600 |
C14—H14B | 0.9600 | C37A—H37E | 0.9600 |
C14—H14C | 0.9600 | C37A—H37F | 0.9600 |
C15—H15A | 0.9600 | C38A—H38D | 0.9600 |
C15—H15B | 0.9600 | C38A—H38E | 0.9600 |
C15—H15C | 0.9600 | C38A—H38F | 0.9600 |
O4—Sn1—C8 | 118.36 (10) | C12—C14—H14A | 109.5 |
O4—Sn1—C4 | 121.70 (11) | C12—C14—H14B | 109.5 |
C8—Sn1—C4 | 119.92 (12) | H14A—C14—H14B | 109.5 |
O4—Sn1—O3 | 68.78 (8) | C12—C14—H14C | 109.5 |
C8—Sn1—O3 | 100.73 (10) | H14A—C14—H14C | 109.5 |
C4—Sn1—O3 | 101.28 (11) | H14B—C14—H14C | 109.5 |
O4—Sn1—O1 | 68.38 (7) | C12—C15—H15A | 109.5 |
C8—Sn1—O1 | 101.53 (10) | C12—C15—H15B | 109.5 |
C4—Sn1—O1 | 98.66 (11) | H15A—C15—H15B | 109.5 |
O3—Sn1—O1 | 137.08 (7) | C12—C15—H15C | 109.5 |
O4—Sn2—C12 | 120.14 (10) | H15A—C15—H15C | 109.5 |
O4—Sn2—C16 | 119.53 (10) | H15B—C15—H15C | 109.5 |
C12—Sn2—C16 | 120.32 (12) | C18—C16—C19 | 110.5 (3) |
O4—Sn2—O2 | 68.90 (7) | C18—C16—C17 | 109.4 (3) |
C12—Sn2—O2 | 98.38 (10) | C19—C16—C17 | 109.5 (3) |
C16—Sn2—O2 | 103.10 (10) | C18—C16—Sn2 | 109.6 (2) |
O4—Sn2—O1 | 68.22 (7) | C19—C16—Sn2 | 110.1 (2) |
C12—Sn2—O1 | 100.96 (10) | C17—C16—Sn2 | 107.7 (2) |
C16—Sn2—O1 | 99.51 (10) | C16—C17—H17A | 109.5 |
O2—Sn2—O1 | 137.06 (7) | C16—C17—H17B | 109.5 |
O4—Sn3—C24 | 115.57 (10) | H17A—C17—H17B | 109.5 |
O4—Sn3—C20 | 125.61 (10) | C16—C17—H17C | 109.5 |
C24—Sn3—C20 | 118.76 (12) | H17A—C17—H17C | 109.5 |
O4—Sn3—O2 | 68.99 (7) | H17B—C17—H17C | 109.5 |
C24—Sn3—O2 | 100.19 (10) | C16—C18—H18A | 109.5 |
C20—Sn3—O2 | 103.16 (10) | C16—C18—H18B | 109.5 |
O4—Sn3—O3 | 67.96 (7) | H18A—C18—H18B | 109.5 |
C24—Sn3—O3 | 102.32 (10) | C16—C18—H18C | 109.5 |
C20—Sn3—O3 | 97.68 (10) | H18A—C18—H18C | 109.5 |
O2—Sn3—O3 | 136.67 (7) | H18B—C18—H18C | 109.5 |
O6—Sn4—O5 | 99.73 (9) | C16—C19—H19A | 109.5 |
O6—Sn4—O10 | 90.28 (8) | C16—C19—H19B | 109.5 |
O5—Sn4—O10 | 161.38 (8) | H19A—C19—H19B | 109.5 |
O6—Sn4—O9 | 155.92 (9) | C16—C19—H19C | 109.5 |
O5—Sn4—O9 | 94.46 (8) | H19A—C19—H19C | 109.5 |
O10—Sn4—O9 | 71.24 (7) | H19B—C19—H19C | 109.5 |
O6—Sn4—C35 | 103.06 (14) | C22—C20—C21 | 111.3 (3) |
O5—Sn4—C35 | 95.64 (12) | C22—C20—C23 | 109.2 (3) |
O10—Sn4—C35 | 97.34 (12) | C21—C20—C23 | 109.0 (3) |
O9—Sn4—C35 | 94.73 (12) | C22—C20—Sn3 | 110.3 (2) |
O6—Sn4—O11 | 89.92 (9) | C21—C20—Sn3 | 110.4 (2) |
O5—Sn4—O11 | 89.86 (8) | C23—C20—Sn3 | 106.6 (2) |
O10—Sn4—O11 | 74.38 (8) | C20—C21—H21A | 109.5 |
O9—Sn4—O11 | 70.65 (7) | C20—C21—H21B | 109.5 |
C35—Sn4—O11 | 164.78 (12) | H21A—C21—H21B | 109.5 |
O6—Sn4—Sn5 | 113.14 (7) | C20—C21—H21C | 109.5 |
O5—Sn4—Sn5 | 118.35 (6) | H21A—C21—H21C | 109.5 |
O10—Sn4—Sn5 | 43.04 (5) | H21B—C21—H21C | 109.5 |
O9—Sn4—Sn5 | 42.79 (5) | C20—C22—H22A | 109.5 |
C35—Sn4—Sn5 | 123.11 (10) | C20—C22—H22B | 109.5 |
O11—Sn4—Sn5 | 42.65 (5) | H22A—C22—H22B | 109.5 |
O8—Sn5—O7 | 99.98 (11) | C20—C22—H22C | 109.5 |
O8—Sn5—O11 | 90.95 (9) | H22A—C22—H22C | 109.5 |
O7—Sn5—O11 | 91.80 (8) | H22B—C22—H22C | 109.5 |
O8—Sn5—O9 | 156.45 (9) | C20—C23—H23A | 109.5 |
O7—Sn5—O9 | 95.82 (9) | C20—C23—H23B | 109.5 |
O11—Sn5—O9 | 71.10 (7) | H23A—C23—H23B | 109.5 |
O8—Sn5—O10 | 90.13 (10) | C20—C23—H23C | 109.5 |
O7—Sn5—O10 | 163.18 (8) | H23A—C23—H23C | 109.5 |
O11—Sn5—O10 | 74.50 (8) | H23B—C23—H23C | 109.5 |
O9—Sn5—O10 | 70.79 (8) | C27—C24—C25 | 109.5 (3) |
O8—Sn5—C39 | 100.23 (11) | C27—C24—C26 | 110.8 (3) |
O7—Sn5—C39 | 95.89 (11) | C25—C24—C26 | 109.5 (3) |
O11—Sn5—C39 | 165.10 (10) | C27—C24—Sn3 | 110.2 (2) |
O9—Sn5—C39 | 95.37 (10) | C25—C24—Sn3 | 107.8 (2) |
O10—Sn5—C39 | 95.49 (10) | C26—C24—Sn3 | 109.1 (2) |
O8—Sn5—Sn4 | 113.74 (7) | C24—C25—H25A | 109.5 |
O7—Sn5—Sn4 | 120.66 (6) | C24—C25—H25B | 109.5 |
O11—Sn5—Sn4 | 43.31 (5) | H25A—C25—H25B | 109.5 |
O9—Sn5—Sn4 | 42.72 (5) | C24—C25—H25C | 109.5 |
O10—Sn5—Sn4 | 42.53 (5) | H25A—C25—H25C | 109.5 |
C39—Sn5—Sn4 | 122.15 (8) | H25B—C25—H25C | 109.5 |
C1—O1—Sn1 | 129.2 (2) | C24—C26—H26A | 109.5 |
C1—O1—Sn2 | 128.2 (2) | C24—C26—H26B | 109.5 |
Sn1—O1—Sn2 | 102.54 (8) | H26A—C26—H26B | 109.5 |
C2—O2—Sn3 | 128.61 (17) | C24—C26—H26C | 109.5 |
C2—O2—Sn2 | 128.02 (18) | H26A—C26—H26C | 109.5 |
Sn3—O2—Sn2 | 103.05 (7) | H26B—C26—H26C | 109.5 |
C3—O3—Sn1 | 127.3 (2) | C24—C27—H27A | 109.5 |
C3—O3—Sn3 | 129.1 (2) | C24—C27—H27B | 109.5 |
Sn1—O3—Sn3 | 103.37 (8) | H27A—C27—H27B | 109.5 |
Sn2—O4—Sn1 | 120.67 (9) | C24—C27—H27C | 109.5 |
Sn2—O4—Sn3 | 119.04 (9) | H27A—C27—H27C | 109.5 |
Sn1—O4—Sn3 | 119.87 (9) | H27B—C27—H27C | 109.5 |
C28—O5—Sn4 | 122.35 (18) | O5—C28—H28A | 109.5 |
C29—O6—Sn4 | 121.5 (2) | O5—C28—H28B | 109.5 |
C30—O7—Sn5 | 125.2 (2) | H28A—C28—H28B | 109.5 |
C31—O8—Sn5 | 121.3 (3) | O5—C28—H28C | 109.5 |
C32—O9—Sn4 | 120.61 (18) | H28A—C28—H28C | 109.5 |
C32—O9—Sn5 | 119.56 (18) | H28B—C28—H28C | 109.5 |
Sn4—O9—Sn5 | 94.49 (8) | O6—C29—H29A | 109.5 |
C33—O10—Sn4 | 123.8 (2) | O6—C29—H29B | 109.5 |
C33—O10—Sn5 | 124.3 (2) | H29A—C29—H29B | 109.5 |
Sn4—O10—Sn5 | 94.43 (7) | O6—C29—H29C | 109.5 |
C34—O11—Sn5 | 122.31 (18) | H29A—C29—H29C | 109.5 |
C34—O11—Sn4 | 123.7 (2) | H29B—C29—H29C | 109.5 |
Sn5—O11—Sn4 | 94.04 (7) | O7—C30—H30A | 109.5 |
O1—C1—H1A | 109.5 | O7—C30—H30B | 109.5 |
O1—C1—H1B | 109.5 | H30A—C30—H30B | 109.5 |
H1A—C1—H1B | 109.5 | O7—C30—H30C | 109.5 |
O1—C1—H1C | 109.5 | H30A—C30—H30C | 109.5 |
H1A—C1—H1C | 109.5 | H30B—C30—H30C | 109.5 |
H1B—C1—H1C | 109.5 | O8—C31—H31A | 109.5 |
O2—C2—H2A | 109.5 | O8—C31—H31B | 109.5 |
O2—C2—H2B | 109.5 | H31A—C31—H31B | 109.5 |
H2A—C2—H2B | 109.5 | O8—C31—H31C | 109.5 |
O2—C2—H2C | 109.5 | H31A—C31—H31C | 109.5 |
H2A—C2—H2C | 109.5 | H31B—C31—H31C | 109.5 |
H2B—C2—H2C | 109.5 | O9—C32—H32A | 109.5 |
C6—C4—C7A | 135.8 (5) | O9—C32—H32B | 109.5 |
C6—C4—C5 | 119.3 (5) | H32A—C32—H32B | 109.5 |
C7A—C4—C5 | 55.2 (5) | O9—C32—H32C | 109.5 |
C6—C4—C6A | 35.7 (4) | H32A—C32—H32C | 109.5 |
C7A—C4—C6A | 115.5 (5) | H32B—C32—H32C | 109.5 |
C5—C4—C6A | 140.4 (5) | O10—C33—H33A | 109.5 |
C6—C4—C5A | 68.9 (4) | O10—C33—H33B | 109.5 |
C7A—C4—C5A | 106.6 (5) | H33A—C33—H33B | 109.5 |
C5—C4—C5A | 55.3 (4) | O10—C33—H33C | 109.5 |
C6A—C4—C5A | 102.8 (4) | H33A—C33—H33C | 109.5 |
C6—C4—C7 | 107.9 (5) | H33B—C33—H33C | 109.5 |
C7A—C4—C7 | 49.4 (4) | O11—C34—H34A | 109.5 |
C5—C4—C7 | 104.1 (4) | O11—C34—H34B | 109.5 |
C6A—C4—C7 | 73.9 (4) | H34A—C34—H34B | 109.5 |
C5A—C4—C7 | 144.1 (4) | O11—C34—H34C | 109.5 |
C6—C4—Sn1 | 111.1 (3) | H34A—C34—H34C | 109.5 |
C7A—C4—Sn1 | 111.9 (4) | H34B—C34—H34C | 109.5 |
C5—C4—Sn1 | 107.2 (3) | C38A—C35—C37 | 62.7 (7) |
C6A—C4—Sn1 | 111.3 (3) | C38A—C35—C36 | 128.3 (7) |
C5A—C4—Sn1 | 107.9 (3) | C37—C35—C36 | 115.5 (4) |
C7—C4—Sn1 | 106.4 (3) | C38A—C35—C37A | 99.9 (9) |
C4—C5—H5A | 109.5 | C37—C35—C37A | 37.3 (5) |
C4—C5—H5B | 109.5 | C36—C35—C37A | 95.3 (6) |
H5A—C5—H5B | 109.5 | C38A—C35—C38 | 43.6 (7) |
C4—C5—H5C | 109.5 | C37—C35—C38 | 105.3 (5) |
H5A—C5—H5C | 109.5 | C36—C35—C38 | 102.4 (4) |
H5B—C5—H5C | 109.5 | C37A—C35—C38 | 142.3 (7) |
C4—C6—H6A | 109.5 | C38A—C35—Sn4 | 115.6 (6) |
C4—C6—H6B | 109.5 | C37—C35—Sn4 | 115.3 (4) |
H6A—C6—H6B | 109.5 | C36—C35—Sn4 | 110.6 (3) |
C4—C6—H6C | 109.5 | C37A—C35—Sn4 | 98.0 (5) |
H6A—C6—H6C | 109.5 | C38—C35—Sn4 | 106.2 (3) |
H6B—C6—H6C | 109.5 | C42—C39—C41A | 126.5 (7) |
C4—C7—H7A | 109.5 | C42—C39—C40A | 78.5 (6) |
C4—C7—H7B | 109.5 | C41A—C39—C40A | 113.8 (8) |
H7A—C7—H7B | 109.5 | C42—C39—C41 | 112.1 (6) |
C4—C7—H7C | 109.5 | C41A—C39—C41 | 21.5 (5) |
H7A—C7—H7C | 109.5 | C40A—C39—C41 | 130.9 (6) |
H7B—C7—H7C | 109.5 | C42—C39—C40 | 111.3 (5) |
C4—C5A—H5A1 | 109.5 | C41A—C39—C40 | 86.3 (6) |
C4—C5A—H5A2 | 109.5 | C40A—C39—C40 | 34.1 (5) |
H5A1—C5A—H5A2 | 109.5 | C41—C39—C40 | 107.3 (4) |
C4—C5A—H5A3 | 109.5 | C42—C39—C42A | 28.0 (5) |
H5A1—C5A—H5A3 | 109.5 | C41A—C39—C42A | 105.6 (7) |
H5A2—C5A—H5A3 | 109.5 | C40A—C39—C42A | 104.6 (7) |
C4—C6A—H6A1 | 109.5 | C41—C39—C42A | 87.2 (6) |
C4—C6A—H6A2 | 109.5 | C40—C39—C42A | 134.0 (5) |
H6A1—C6A—H6A2 | 109.5 | C42—C39—Sn5 | 110.8 (4) |
C4—C6A—H6A3 | 109.5 | C41A—C39—Sn5 | 111.3 (6) |
H6A1—C6A—H6A3 | 109.5 | C40A—C39—Sn5 | 111.3 (5) |
H6A2—C6A—H6A3 | 109.5 | C41—C39—Sn5 | 108.7 (4) |
C4—C7A—H7A1 | 109.5 | C40—C39—Sn5 | 106.3 (3) |
C4—C7A—H7A2 | 109.5 | C42A—C39—Sn5 | 109.7 (5) |
H7A1—C7A—H7A2 | 109.5 | C39—C40—H40A | 109.5 |
C4—C7A—H7A3 | 109.5 | C39—C40—H40B | 109.5 |
H7A1—C7A—H7A3 | 109.5 | H40A—C40—H40B | 109.5 |
H7A2—C7A—H7A3 | 109.5 | C39—C40—H40C | 109.5 |
C9—C8—C10A | 126.3 (11) | H40A—C40—H40C | 109.5 |
C9—C8—C11A | 80.0 (6) | H40B—C40—H40C | 109.5 |
C10A—C8—C11A | 113.1 (9) | C39—C41—H41A | 109.5 |
C9—C8—C10 | 112.7 (8) | C39—C41—H41B | 109.5 |
C10A—C8—C10 | 21.2 (12) | H41A—C41—H41B | 109.5 |
C11A—C8—C10 | 130.8 (8) | C39—C41—H41C | 109.5 |
C9—C8—C9A | 28.3 (4) | H41A—C41—H41C | 109.5 |
C10A—C8—C9A | 108.2 (10) | H41B—C41—H41C | 109.5 |
C11A—C8—C9A | 107.7 (6) | C39—C42—H42A | 109.5 |
C10—C8—C9A | 89.7 (8) | C39—C42—H42B | 109.5 |
C9—C8—C11 | 110.1 (5) | H42A—C42—H42B | 109.5 |
C10A—C8—C11 | 85.3 (9) | C39—C42—H42C | 109.5 |
C11A—C8—C11 | 32.4 (5) | H42A—C42—H42C | 109.5 |
C10—C8—C11 | 105.9 (7) | H42B—C42—H42C | 109.5 |
C9A—C8—C11 | 135.2 (6) | C39—C40A—H40D | 109.5 |
C9—C8—Sn1 | 111.2 (4) | C39—C40A—H40E | 109.5 |
C10A—C8—Sn1 | 110.9 (11) | H40D—C40A—H40E | 109.5 |
C11A—C8—Sn1 | 111.2 (5) | C39—C40A—H40F | 109.5 |
C10—C8—Sn1 | 107.5 (6) | H40D—C40A—H40F | 109.5 |
C9A—C8—Sn1 | 105.2 (5) | H40E—C40A—H40F | 109.5 |
C11—C8—Sn1 | 109.3 (3) | C39—C41A—H41D | 109.5 |
C8—C9—H9A | 109.5 | C39—C41A—H41E | 109.5 |
C8—C9—H9B | 109.5 | H41D—C41A—H41E | 109.5 |
H9A—C9—H9B | 109.5 | C39—C41A—H41F | 109.5 |
C8—C9—H9C | 109.5 | H41D—C41A—H41F | 109.5 |
H9A—C9—H9C | 109.5 | H41E—C41A—H41F | 109.5 |
H9B—C9—H9C | 109.5 | C39—C42A—H42D | 109.5 |
C8—C10—H10A | 109.5 | C39—C42A—H42E | 109.5 |
C8—C10—H10B | 109.5 | H42D—C42A—H42E | 109.5 |
H10A—C10—H10B | 109.5 | C39—C42A—H42F | 109.5 |
C8—C10—H10C | 109.5 | H42D—C42A—H42F | 109.5 |
H10A—C10—H10C | 109.5 | H42E—C42A—H42F | 109.5 |
H10B—C10—H10C | 109.5 | O3—C3—H3A | 109.5 |
C8—C11—H11A | 109.5 | O3—C3—H3B | 109.5 |
C8—C11—H11B | 109.5 | H3A—C3—H3B | 109.5 |
H11A—C11—H11B | 109.5 | O3—C3—H3C | 109.5 |
C8—C11—H11C | 109.5 | H3A—C3—H3C | 109.5 |
H11A—C11—H11C | 109.5 | H3B—C3—H3C | 109.5 |
H11B—C11—H11C | 109.5 | C35—C36—H36A | 109.5 |
C8—C9A—H9A1 | 109.5 | C35—C36—H36B | 109.5 |
C8—C9A—H9A2 | 109.5 | H36A—C36—H36B | 109.5 |
H9A1—C9A—H9A2 | 109.5 | C35—C36—H36C | 109.5 |
C8—C9A—H9A3 | 109.5 | H36A—C36—H36C | 109.5 |
H9A1—C9A—H9A3 | 109.5 | H36B—C36—H36C | 109.5 |
H9A2—C9A—H9A3 | 109.5 | C35—C37—H37A | 109.5 |
C8—C10A—H10D | 109.5 | C35—C37—H37B | 109.5 |
C8—C10A—H10E | 109.5 | H37A—C37—H37B | 109.5 |
H10D—C10A—H10E | 109.5 | C35—C37—H37C | 109.5 |
C8—C10A—H10F | 109.5 | H37A—C37—H37C | 109.5 |
H10D—C10A—H10F | 109.5 | H37B—C37—H37C | 109.5 |
H10E—C10A—H10F | 109.5 | C35—C38—H38A | 109.5 |
C8—C11A—H11D | 109.5 | C35—C38—H38B | 109.5 |
C8—C11A—H11E | 109.5 | H38A—C38—H38B | 109.5 |
H11D—C11A—H11E | 109.5 | C35—C38—H38C | 109.5 |
C8—C11A—H11F | 109.5 | H38A—C38—H38C | 109.5 |
H11D—C11A—H11F | 109.5 | H38B—C38—H38C | 109.5 |
H11E—C11A—H11F | 109.5 | C35—C37A—H37D | 109.5 |
C14—C12—C15 | 110.5 (3) | C35—C37A—H37E | 109.5 |
C14—C12—C13 | 109.6 (3) | H37D—C37A—H37E | 109.5 |
C15—C12—C13 | 109.1 (3) | C35—C37A—H37F | 109.5 |
C14—C12—Sn2 | 110.0 (2) | H37D—C37A—H37F | 109.5 |
C15—C12—Sn2 | 109.9 (2) | H37E—C37A—H37F | 109.5 |
C13—C12—Sn2 | 107.8 (2) | C35—C38A—H38D | 109.5 |
C12—C13—H13A | 109.5 | C35—C38A—H38E | 109.5 |
C12—C13—H13B | 109.5 | H38D—C38A—H38E | 109.5 |
H13A—C13—H13B | 109.5 | C35—C38A—H38F | 109.5 |
C12—C13—H13C | 109.5 | H38D—C38A—H38F | 109.5 |
H13A—C13—H13C | 109.5 | H38E—C38A—H38F | 109.5 |
H13B—C13—H13C | 109.5 |
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