Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804022585/hb6086sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804022585/hb6086Isup2.hkl |
CCDC reference: 252773
Data collection: COLLECT (Nonius, 1998); cell refinement: DENZO and SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg, 2000); software used to prepare material for publication: SHELXL97.
[Sn4O2(C6H5O)4(C4H9)8] | F(000) = 1352 |
Mr = 1336.06 | Dx = 1.499 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2yb | Cell parameters from 24855 reflections |
a = 13.1456 (4) Å | θ = 3.1–27.5° |
b = 17.1448 (6) Å | µ = 1.71 mm−1 |
c = 13.3802 (6) Å | T = 173 K |
β = 101.070 (2)° | Block, colourless |
V = 2959.50 (19) Å3 | 0.35 × 0.25 × 0.20 mm |
Z = 2 |
Nonius KappaCCD diffractometer | 12278 independent reflections |
Radiation source: fine-focus sealed tube | 9730 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.000 |
Detector resolution: 342 pixels mm-1 | θmax = 27.5°, θmin = 3.1° |
ω scans | h = −16→16 |
Absorption correction: multi-scan (SCALEPACK; Otwinowski & Minor, 1997) | k = −21→22 |
Tmin = 0.562, Tmax = 0.715 | l = −17→17 |
24855 measured reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.026 | H-atom parameters constrained |
wR(F2) = 0.044 | w = 1/[σ2(Fo2)] where P = (Fo2 + 2Fc2)/3 |
S = 0.87 | (Δ/σ)max = 0.001 |
12278 reflections | Δρmax = 0.59 e Å−3 |
613 parameters | Δρmin = −0.45 e Å−3 |
1 restraint | Absolute structure: Flack (1983), 5263 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.394 (14) |
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) | |
C1 | −0.2348 (3) | 0.2380 (2) | −0.0140 (4) | 0.0353 (11) | |
H1A | −0.2050 | 0.2171 | −0.0710 | 0.042* | |
H1B | −0.1772 | 0.2423 | 0.0455 | 0.042* | |
C2 | −0.3101 (3) | 0.1775 (2) | 0.0118 (3) | 0.0355 (11) | |
H2A | −0.3695 | 0.1733 | −0.0460 | 0.043* | |
H2B | −0.3374 | 0.1957 | 0.0719 | 0.043* | |
C3 | −0.2617 (4) | 0.0967 (3) | 0.0346 (4) | 0.0518 (14) | |
H3A | −0.2301 | 0.0807 | −0.0236 | 0.062* | |
H3B | −0.2053 | 0.1008 | 0.0951 | 0.062* | |
C4 | −0.3341 (4) | 0.0348 (3) | 0.0535 (5) | 0.088 (2) | |
H4A | −0.2960 | −0.0142 | 0.0695 | 0.132* | |
H4B | −0.3881 | 0.0277 | −0.0074 | 0.132* | |
H4C | −0.3662 | 0.0498 | 0.1110 | 0.132* | |
C5 | −0.5297 (3) | 0.3249 (2) | −0.1242 (3) | 0.0284 (10) | |
C6 | −0.5442 (3) | 0.3055 (2) | −0.0268 (3) | 0.0307 (11) | |
H6A | −0.4863 | 0.2991 | 0.0272 | 0.037* | |
C7 | −0.6440 (3) | 0.2957 (3) | −0.0096 (4) | 0.0409 (12) | |
H7A | −0.6542 | 0.2814 | 0.0564 | 0.049* | |
C8 | −0.7278 (3) | 0.3061 (3) | −0.0860 (4) | 0.0375 (12) | |
H8A | −0.7959 | 0.3003 | −0.0728 | 0.045* | |
C9 | −0.7134 (3) | 0.3249 (2) | −0.1820 (3) | 0.0348 (11) | |
H9A | −0.7718 | 0.3314 | −0.2355 | 0.042* | |
C10 | −0.6159 (3) | 0.3343 (2) | −0.2011 (3) | 0.0308 (10) | |
H10A | −0.6069 | 0.3474 | −0.2679 | 0.037* | |
C11 | −0.3275 (3) | 0.4417 (2) | 0.0419 (3) | 0.0350 (11) | |
H11A | −0.4036 | 0.4490 | 0.0260 | 0.042* | |
H11B | −0.3088 | 0.4237 | 0.1134 | 0.042* | |
C12 | −0.2755 (4) | 0.5216 (3) | 0.0335 (4) | 0.0637 (16) | |
H12A | −0.3052 | 0.5458 | −0.0329 | 0.076* | |
H12B | −0.2003 | 0.5140 | 0.0364 | 0.076* | |
C13 | −0.2934 (5) | 0.5804 (3) | 0.1275 (7) | 0.120 (3) | |
H13A | −0.2605 | 0.5565 | 0.1931 | 0.144* | |
H13B | −0.2572 | 0.6303 | 0.1210 | 0.144* | |
C14 | −0.3938 (5) | 0.5961 (4) | 0.1305 (7) | 0.124 (3) | |
H14A | −0.3971 | 0.6303 | 0.1886 | 0.187* | |
H14B | −0.4304 | 0.5473 | 0.1379 | 0.187* | |
H14C | −0.4266 | 0.6222 | 0.0673 | 0.187* | |
C15 | −0.0392 (3) | 0.4006 (2) | 0.0379 (3) | 0.0256 (9) | |
C16 | 0.0591 (3) | 0.4242 (2) | 0.0255 (3) | 0.0287 (9) | |
H16A | 0.0711 | 0.4348 | −0.0410 | 0.034* | |
C17 | 0.1393 (3) | 0.4324 (2) | 0.1081 (3) | 0.0315 (10) | |
H17A | 0.2061 | 0.4471 | 0.0977 | 0.038* | |
C18 | 0.1235 (3) | 0.4198 (2) | 0.2049 (3) | 0.0325 (10) | |
H18A | 0.1788 | 0.4265 | 0.2615 | 0.039* | |
C19 | 0.0263 (3) | 0.3970 (2) | 0.2201 (3) | 0.0357 (10) | |
H19A | 0.0143 | 0.3880 | 0.2869 | 0.043* | |
C20 | −0.0530 (3) | 0.3876 (3) | 0.1365 (3) | 0.0306 (10) | |
H20A | −0.1192 | 0.3716 | 0.1472 | 0.037* | |
C21 | −0.3910 (4) | 0.2765 (3) | −0.3691 (4) | 0.0609 (16) | |
H21A | −0.4667 | 0.2682 | −0.3776 | 0.073* | |
H21B | −0.3734 | 0.2691 | −0.4371 | 0.073* | |
C22 | −0.3462 (6) | 0.2179 (4) | −0.3113 (6) | 0.042 (2) | 0.60 |
H22A | −0.3525 | 0.2271 | −0.2397 | 0.051* | 0.60 |
H22B | −0.2715 | 0.2163 | −0.3140 | 0.051* | 0.60 |
C23 | −0.3972 (12) | 0.1367 (6) | −0.3477 (9) | 0.071 (5) | 0.60 |
H23A | −0.4723 | 0.1375 | −0.3467 | 0.085* | 0.60 |
H23B | −0.3879 | 0.1249 | −0.4178 | 0.085* | 0.60 |
C22' | −0.4551 (9) | 0.2150 (6) | −0.3388 (10) | 0.057 (3) | 0.40 |
H22C | −0.5258 | 0.2272 | −0.3763 | 0.068* | 0.40 |
H22D | −0.4560 | 0.2265 | −0.2665 | 0.068* | 0.40 |
C23' | −0.4487 (16) | 0.1221 (14) | −0.343 (2) | 0.112 (11) | 0.40 |
H23C | −0.5089 | 0.1005 | −0.3179 | 0.135* | 0.40 |
H23D | −0.4560 | 0.1064 | −0.4152 | 0.135* | 0.40 |
C24 | −0.3481 (5) | 0.0826 (4) | −0.2815 (5) | 0.104 (2) | |
H24A | −0.3721 | 0.0304 | −0.3047 | 0.156* | |
H24B | −0.3636 | 0.0921 | −0.2137 | 0.156* | |
H24C | −0.2731 | 0.0863 | −0.2781 | 0.156* | |
C25 | −0.4604 (3) | 0.4896 (2) | −0.3030 (4) | 0.0423 (12) | |
H25A | −0.5336 | 0.4725 | −0.3199 | 0.051* | |
H25B | −0.4443 | 0.5009 | −0.2291 | 0.051* | |
C26 | −0.4506 (4) | 0.5633 (3) | −0.3586 (4) | 0.0670 (16) | |
H26A | −0.4726 | 0.5533 | −0.4324 | 0.080* | |
H26B | −0.3765 | 0.5783 | −0.3464 | 0.080* | |
C27 | −0.5153 (4) | 0.6350 (4) | −0.3289 (5) | 0.0775 (18) | |
H27A | −0.5109 | 0.6787 | −0.3761 | 0.093* | |
H27B | −0.5890 | 0.6196 | −0.3371 | 0.093* | |
C28 | −0.4785 (4) | 0.6612 (4) | −0.2249 (6) | 0.096 (2) | |
H28A | −0.5225 | 0.7039 | −0.2094 | 0.144* | |
H28B | −0.4069 | 0.6796 | −0.2175 | 0.144* | |
H28C | −0.4813 | 0.6179 | −0.1778 | 0.144* | |
C31 | −0.0248 (3) | 0.3356 (2) | −0.2421 (3) | 0.0330 (10) | |
H31A | −0.0361 | 0.3300 | −0.3171 | 0.040* | |
H31B | 0.0482 | 0.3517 | −0.2185 | 0.040* | |
C32 | −0.0390 (3) | 0.2577 (2) | −0.1978 (3) | 0.0339 (10) | |
H32A | −0.1139 | 0.2450 | −0.2118 | 0.041* | |
H32B | −0.0161 | 0.2607 | −0.1230 | 0.041* | |
C33 | 0.0186 (3) | 0.1926 (2) | −0.2376 (4) | 0.0449 (12) | |
H33A | 0.0935 | 0.2054 | −0.2246 | 0.054* | |
H33B | −0.0053 | 0.1885 | −0.3122 | 0.054* | |
C34 | 0.0036 (4) | 0.1138 (2) | −0.1888 (4) | 0.0643 (15) | |
H34A | 0.0421 | 0.0736 | −0.2179 | 0.096* | |
H34B | −0.0702 | 0.1005 | −0.2020 | 0.096* | |
H34C | 0.0294 | 0.1169 | −0.1151 | 0.096* | |
C35 | −0.0870 (3) | 0.5464 (2) | −0.1678 (3) | 0.0341 (11) | |
H35A | −0.0814 | 0.5526 | −0.0934 | 0.041* | |
H35B | −0.0188 | 0.5595 | −0.1843 | 0.041* | |
C36 | −0.1651 (5) | 0.6020 (3) | −0.2207 (5) | 0.0782 (18) | |
H36A | −0.2314 | 0.5936 | −0.1975 | 0.094* | |
H36B | −0.1772 | 0.5918 | −0.2949 | 0.094* | |
C37 | −0.1299 (6) | 0.6890 (3) | −0.1999 (5) | 0.094 (2) | |
H37A | −0.0629 | 0.6968 | −0.2219 | 0.112* | |
H37B | −0.1816 | 0.7237 | −0.2414 | 0.112* | |
C38 | −0.1187 (5) | 0.7102 (3) | −0.0972 (5) | 0.091 (2) | |
H38A | −0.0942 | 0.7642 | −0.0884 | 0.136* | |
H38B | −0.0684 | 0.6756 | −0.0555 | 0.136* | |
H38C | −0.1858 | 0.7057 | −0.0759 | 0.136* | |
C41 | −0.1537 (3) | 0.3691 (2) | −0.5713 (3) | 0.0345 (11) | |
H41A | −0.1775 | 0.3794 | −0.6449 | 0.041* | |
H41B | −0.0771 | 0.3664 | −0.5581 | 0.041* | |
C42 | −0.1954 (4) | 0.2905 (3) | −0.5465 (4) | 0.0544 (14) | |
H42A | −0.1804 | 0.2837 | −0.4717 | 0.065* | |
H42B | −0.2717 | 0.2909 | −0.5690 | 0.065* | |
C43 | −0.1525 (4) | 0.2213 (3) | −0.5941 (5) | 0.0695 (16) | |
H43A | −0.0759 | 0.2225 | −0.5761 | 0.083* | |
H43B | −0.1764 | 0.1728 | −0.5656 | 0.083* | |
C44 | −0.1847 (6) | 0.2202 (3) | −0.7052 (5) | 0.116 (3) | |
H44A | −0.1537 | 0.1750 | −0.7328 | 0.174* | |
H44B | −0.1614 | 0.2681 | −0.7338 | 0.174* | |
H44C | −0.2604 | 0.2166 | −0.7234 | 0.174* | |
C45 | −0.4461 (3) | 0.4091 (2) | −0.5778 (3) | 0.0296 (11) | |
C46 | −0.5436 (3) | 0.3848 (3) | −0.5595 (3) | 0.0455 (12) | |
H46A | −0.5556 | 0.3832 | −0.4918 | 0.055* | |
C47 | −0.6212 (3) | 0.3636 (3) | −0.6392 (4) | 0.0437 (13) | |
H47A | −0.6858 | 0.3463 | −0.6256 | 0.052* | |
C48 | −0.6069 (3) | 0.3668 (2) | −0.7383 (3) | 0.0438 (12) | |
H48A | −0.6610 | 0.3522 | −0.7929 | 0.053* | |
C49 | −0.5128 (3) | 0.3917 (3) | −0.7571 (3) | 0.0431 (11) | |
H49A | −0.5023 | 0.3950 | −0.8252 | 0.052* | |
C50 | −0.4325 (3) | 0.4120 (2) | −0.6768 (3) | 0.0328 (10) | |
H50A | −0.3676 | 0.4281 | −0.6911 | 0.039* | |
C51 | −0.2520 (3) | 0.5777 (2) | −0.5417 (3) | 0.0357 (11) | |
H51A | −0.2724 | 0.5748 | −0.6168 | 0.043* | |
H51B | −0.3154 | 0.5896 | −0.5149 | 0.043* | |
C52 | −0.1784 (3) | 0.6458 (2) | −0.5161 (4) | 0.0399 (12) | |
H52A | −0.1197 | 0.6391 | −0.5519 | 0.048* | |
H52B | −0.1501 | 0.6455 | −0.4420 | 0.048* | |
C53 | −0.2293 (3) | 0.7238 (3) | −0.5453 (4) | 0.0487 (13) | |
H53A | −0.2884 | 0.7304 | −0.5101 | 0.058* | |
H53B | −0.2569 | 0.7244 | −0.6196 | 0.058* | |
C54 | −0.1544 (4) | 0.7929 (3) | −0.5181 (4) | 0.0636 (15) | |
H54A | −0.1912 | 0.8418 | −0.5388 | 0.095* | |
H54B | −0.0963 | 0.7874 | −0.5538 | 0.095* | |
H54C | −0.1281 | 0.7936 | −0.4444 | 0.095* | |
C55 | 0.0386 (3) | 0.4994 (2) | −0.4233 (3) | 0.0260 (10) | |
C56 | 0.0506 (3) | 0.5132 (2) | −0.5224 (3) | 0.0335 (10) | |
H56A | −0.0089 | 0.5177 | −0.5750 | 0.040* | |
C57 | 0.1491 (3) | 0.5207 (2) | −0.5458 (4) | 0.0381 (11) | |
H57A | 0.1560 | 0.5296 | −0.6143 | 0.046* | |
C58 | 0.2367 (3) | 0.5152 (3) | −0.4702 (4) | 0.0417 (12) | |
H58A | 0.3036 | 0.5206 | −0.4865 | 0.050* | |
C59 | 0.2262 (3) | 0.5019 (3) | −0.3698 (4) | 0.0401 (12) | |
H59A | 0.2858 | 0.4979 | −0.3172 | 0.048* | |
C60 | 0.1274 (3) | 0.4943 (2) | −0.3476 (3) | 0.0337 (11) | |
H60A | 0.1204 | 0.4855 | −0.2791 | 0.040* | |
O1 | −0.26425 (16) | 0.38689 (15) | −0.19084 (19) | 0.0259 (6) | |
O2 | −0.22347 (17) | 0.43651 (15) | −0.34944 (19) | 0.0264 (6) | |
O3 | −0.11746 (17) | 0.39197 (15) | −0.04275 (18) | 0.0269 (6) | |
O4 | −0.36901 (17) | 0.42593 (16) | −0.49860 (19) | 0.0321 (6) | |
O5 | −0.43372 (17) | 0.33409 (16) | −0.1464 (2) | 0.0343 (7) | |
O6 | −0.05498 (18) | 0.49137 (15) | −0.3962 (2) | 0.0299 (7) | |
Sn1 | −0.287764 (17) | 0.352628 (13) | −0.05432 (2) | 0.02412 (7) | |
Sn2 | −0.364898 (18) | 0.395008 (14) | −0.33253 (2) | 0.02561 (7) | |
Sn3 | −0.122164 (18) | 0.427247 (13) | −0.20743 (2) | 0.02242 (7) | |
Sn4 | −0.198738 (18) | 0.465304 (14) | −0.48752 (2) | 0.02527 (7) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.035 (2) | 0.024 (2) | 0.048 (3) | 0.0003 (19) | 0.010 (2) | −0.001 (2) |
C2 | 0.034 (2) | 0.036 (3) | 0.040 (3) | 0.0027 (19) | 0.015 (2) | 0.004 (2) |
C3 | 0.067 (3) | 0.028 (3) | 0.063 (4) | 0.008 (2) | 0.019 (3) | 0.004 (2) |
C4 | 0.107 (5) | 0.037 (3) | 0.133 (6) | 0.010 (3) | 0.057 (4) | 0.027 (3) |
C5 | 0.025 (2) | 0.021 (2) | 0.041 (3) | −0.0013 (17) | 0.012 (2) | −0.0022 (19) |
C6 | 0.024 (2) | 0.038 (3) | 0.030 (3) | −0.0039 (19) | 0.005 (2) | −0.003 (2) |
C7 | 0.043 (3) | 0.047 (3) | 0.038 (3) | −0.006 (2) | 0.020 (2) | −0.003 (2) |
C8 | 0.023 (2) | 0.041 (3) | 0.050 (3) | −0.005 (2) | 0.011 (2) | −0.004 (2) |
C9 | 0.022 (2) | 0.040 (3) | 0.041 (3) | −0.0005 (19) | 0.001 (2) | 0.001 (2) |
C10 | 0.027 (2) | 0.034 (3) | 0.029 (3) | −0.0044 (18) | 0.0008 (19) | 0.0017 (18) |
C11 | 0.040 (2) | 0.029 (3) | 0.040 (3) | −0.0001 (19) | 0.018 (2) | −0.0038 (19) |
C12 | 0.060 (3) | 0.047 (3) | 0.087 (5) | 0.008 (3) | 0.023 (3) | −0.006 (3) |
C13 | 0.073 (4) | 0.052 (4) | 0.246 (11) | −0.032 (3) | 0.058 (5) | −0.024 (5) |
C14 | 0.107 (6) | 0.086 (6) | 0.191 (9) | 0.006 (4) | 0.056 (6) | 0.003 (5) |
C15 | 0.025 (2) | 0.022 (2) | 0.028 (3) | 0.0015 (17) | 0.0025 (18) | −0.0045 (18) |
C16 | 0.028 (2) | 0.035 (2) | 0.023 (2) | −0.0008 (19) | 0.0041 (17) | 0.0067 (19) |
C17 | 0.025 (2) | 0.029 (2) | 0.038 (3) | 0.0038 (18) | −0.0011 (18) | 0.007 (2) |
C18 | 0.029 (2) | 0.030 (3) | 0.033 (3) | 0.0040 (18) | −0.0081 (18) | −0.0050 (19) |
C19 | 0.038 (2) | 0.042 (2) | 0.027 (2) | 0.001 (2) | 0.0046 (19) | 0.001 (2) |
C20 | 0.025 (2) | 0.038 (2) | 0.028 (3) | −0.0033 (19) | 0.0034 (18) | −0.001 (2) |
C21 | 0.100 (4) | 0.044 (3) | 0.049 (4) | −0.052 (3) | 0.039 (3) | −0.010 (3) |
C22 | 0.071 (6) | 0.030 (5) | 0.020 (4) | 0.003 (4) | −0.006 (4) | −0.008 (3) |
C23 | 0.190 (17) | 0.004 (5) | 0.026 (6) | 0.007 (8) | 0.036 (8) | 0.004 (4) |
C22' | 0.067 (8) | 0.027 (7) | 0.074 (10) | −0.013 (6) | 0.008 (7) | 0.006 (6) |
C23' | 0.084 (14) | 0.048 (14) | 0.18 (3) | −0.009 (10) | −0.030 (13) | −0.059 (14) |
C24 | 0.091 (5) | 0.118 (6) | 0.104 (6) | −0.027 (4) | 0.023 (4) | −0.044 (5) |
C25 | 0.029 (2) | 0.043 (3) | 0.056 (3) | 0.009 (2) | 0.011 (2) | 0.012 (2) |
C26 | 0.071 (4) | 0.069 (4) | 0.065 (4) | 0.012 (3) | 0.023 (3) | −0.003 (3) |
C27 | 0.076 (4) | 0.079 (4) | 0.079 (5) | 0.020 (3) | 0.018 (4) | −0.008 (4) |
C28 | 0.080 (4) | 0.086 (5) | 0.117 (6) | 0.013 (3) | 0.005 (4) | −0.023 (4) |
C31 | 0.025 (2) | 0.041 (3) | 0.033 (3) | 0.0082 (19) | 0.0067 (19) | 0.006 (2) |
C32 | 0.036 (2) | 0.018 (2) | 0.051 (3) | −0.0060 (18) | 0.017 (2) | −0.005 (2) |
C33 | 0.038 (3) | 0.023 (2) | 0.073 (4) | 0.0068 (19) | 0.010 (2) | −0.003 (2) |
C34 | 0.070 (3) | 0.029 (3) | 0.093 (5) | 0.004 (2) | 0.013 (3) | 0.003 (3) |
C35 | 0.029 (2) | 0.030 (3) | 0.039 (3) | 0.0002 (19) | −0.002 (2) | −0.009 (2) |
C36 | 0.119 (5) | 0.038 (3) | 0.071 (5) | 0.011 (3) | 0.002 (4) | −0.010 (3) |
C37 | 0.176 (7) | 0.031 (4) | 0.076 (5) | −0.011 (4) | 0.028 (5) | 0.000 (3) |
C38 | 0.150 (6) | 0.040 (3) | 0.093 (6) | −0.011 (4) | 0.049 (5) | −0.026 (3) |
C41 | 0.034 (2) | 0.035 (3) | 0.038 (3) | −0.0047 (18) | 0.014 (2) | −0.0049 (19) |
C42 | 0.092 (4) | 0.033 (3) | 0.047 (3) | −0.008 (3) | 0.035 (3) | −0.004 (2) |
C43 | 0.094 (4) | 0.037 (3) | 0.082 (5) | −0.002 (3) | 0.030 (4) | 0.002 (3) |
C44 | 0.254 (9) | 0.050 (4) | 0.046 (4) | −0.039 (5) | 0.035 (5) | −0.010 (3) |
C45 | 0.021 (2) | 0.035 (3) | 0.029 (3) | 0.0009 (18) | −0.0027 (18) | 0.0042 (19) |
C46 | 0.032 (2) | 0.073 (3) | 0.029 (3) | −0.010 (2) | 0.001 (2) | 0.002 (2) |
C47 | 0.026 (2) | 0.064 (3) | 0.038 (3) | −0.003 (2) | −0.002 (2) | 0.011 (2) |
C48 | 0.031 (2) | 0.059 (3) | 0.035 (3) | 0.005 (2) | −0.008 (2) | −0.006 (2) |
C49 | 0.041 (3) | 0.063 (3) | 0.024 (3) | 0.003 (2) | 0.0023 (19) | −0.002 (2) |
C50 | 0.031 (2) | 0.038 (3) | 0.028 (3) | 0.0002 (18) | 0.0016 (18) | 0.0004 (19) |
C51 | 0.032 (2) | 0.033 (3) | 0.038 (3) | 0.001 (2) | −0.003 (2) | 0.011 (2) |
C52 | 0.046 (3) | 0.025 (3) | 0.050 (3) | 0.002 (2) | 0.013 (2) | 0.001 (2) |
C53 | 0.056 (3) | 0.029 (3) | 0.062 (4) | 0.007 (2) | 0.013 (3) | 0.006 (2) |
C54 | 0.081 (4) | 0.032 (3) | 0.078 (4) | −0.008 (2) | 0.018 (3) | 0.008 (3) |
C55 | 0.027 (2) | 0.019 (2) | 0.032 (3) | −0.0015 (18) | 0.004 (2) | −0.0018 (19) |
C56 | 0.031 (2) | 0.033 (2) | 0.037 (3) | −0.0053 (19) | 0.006 (2) | −0.003 (2) |
C57 | 0.043 (3) | 0.033 (3) | 0.043 (3) | −0.007 (2) | 0.019 (2) | −0.009 (2) |
C58 | 0.037 (3) | 0.034 (3) | 0.059 (4) | −0.006 (2) | 0.021 (3) | −0.003 (2) |
C59 | 0.025 (2) | 0.034 (3) | 0.059 (4) | 0.003 (2) | 0.004 (2) | 0.002 (2) |
C60 | 0.031 (2) | 0.034 (3) | 0.038 (3) | −0.0001 (18) | 0.009 (2) | 0.005 (2) |
O1 | 0.0158 (12) | 0.0388 (16) | 0.0229 (15) | −0.0026 (12) | 0.0029 (11) | 0.0012 (12) |
O2 | 0.0240 (13) | 0.0335 (16) | 0.0212 (15) | −0.0040 (12) | 0.0030 (11) | 0.0043 (12) |
O3 | 0.0214 (14) | 0.0359 (15) | 0.0226 (16) | −0.0023 (13) | 0.0020 (12) | 0.0004 (13) |
O4 | 0.0267 (14) | 0.0485 (17) | 0.0197 (16) | −0.0072 (14) | 0.0013 (12) | 0.0037 (14) |
O5 | 0.0186 (14) | 0.053 (2) | 0.0334 (18) | −0.0035 (12) | 0.0089 (12) | −0.0020 (14) |
O6 | 0.0233 (15) | 0.0389 (17) | 0.0279 (17) | −0.0022 (12) | 0.0062 (12) | 0.0011 (12) |
Sn1 | 0.02384 (14) | 0.02722 (15) | 0.02162 (17) | −0.00115 (12) | 0.00519 (12) | −0.00018 (12) |
Sn2 | 0.01952 (14) | 0.03162 (16) | 0.02479 (18) | −0.00301 (11) | 0.00200 (12) | 0.00054 (13) |
Sn3 | 0.01873 (13) | 0.02237 (14) | 0.02574 (17) | −0.00052 (11) | 0.00325 (12) | −0.00092 (12) |
Sn4 | 0.02639 (15) | 0.02703 (15) | 0.02278 (17) | −0.00118 (12) | 0.00571 (12) | 0.00229 (13) |
C1—C2 | 1.519 (5) | C33—H33A | 0.9900 |
C1—H1A | 0.9900 | C33—H33B | 0.9900 |
C1—H1B | 0.9900 | C34—H34A | 0.9800 |
C2—C3 | 1.531 (6) | C34—H34B | 0.9800 |
C2—H2A | 0.9900 | C34—H34C | 0.9800 |
C2—H2B | 0.9900 | C35—C36 | 1.478 (6) |
C3—C4 | 1.479 (6) | C35—H35A | 0.9900 |
C3—H3A | 0.9900 | C35—H35B | 0.9900 |
C3—H3B | 0.9900 | C36—C37 | 1.571 (7) |
C4—H4A | 0.9800 | C36—H36A | 0.9900 |
C4—H4B | 0.9800 | C36—H36B | 0.9900 |
C4—H4C | 0.9800 | C37—C38 | 1.401 (7) |
C5—O5 | 1.360 (4) | C37—H37A | 0.9900 |
C5—C10 | 1.386 (5) | C37—H37B | 0.9900 |
C5—C6 | 1.393 (5) | C38—H38A | 0.9800 |
C6—C7 | 1.386 (5) | C38—H38B | 0.9800 |
C6—H6A | 0.9500 | C38—H38C | 0.9800 |
C7—C8 | 1.362 (6) | C41—C42 | 1.515 (6) |
C7—H7A | 0.9500 | C41—H41A | 0.9900 |
C8—C9 | 1.373 (6) | C41—H41B | 0.9900 |
C8—H8A | 0.9500 | C42—C43 | 1.506 (6) |
C9—C10 | 1.364 (5) | C42—H42A | 0.9900 |
C9—H9A | 0.9500 | C42—H42B | 0.9900 |
C10—H10A | 0.9500 | C43—C44 | 1.466 (8) |
C11—C12 | 1.544 (6) | C43—H43A | 0.9900 |
C11—H11A | 0.9900 | C43—H43B | 0.9900 |
C11—H11B | 0.9900 | C44—H44A | 0.9800 |
C12—C13 | 1.664 (8) | C44—H44B | 0.9800 |
C12—H12A | 0.9900 | C44—H44C | 0.9800 |
C12—H12B | 0.9900 | C45—O4 | 1.350 (4) |
C13—C14 | 1.356 (7) | C45—C50 | 1.371 (5) |
C13—H13A | 0.9900 | C45—C46 | 1.413 (5) |
C13—H13B | 0.9900 | C46—C47 | 1.376 (6) |
C14—H14A | 0.9800 | C46—H46A | 0.9500 |
C14—H14B | 0.9800 | C47—C48 | 1.376 (6) |
C14—H14C | 0.9800 | C47—H47A | 0.9500 |
C15—O3 | 1.348 (4) | C48—C49 | 1.376 (5) |
C15—C20 | 1.384 (5) | C48—H48A | 0.9500 |
C15—C16 | 1.394 (5) | C49—C50 | 1.397 (5) |
C16—C17 | 1.381 (5) | C49—H49A | 0.9500 |
C16—H16A | 0.9500 | C50—H50A | 0.9500 |
C17—C18 | 1.368 (5) | C51—C52 | 1.512 (5) |
C17—H17A | 0.9500 | C51—H51A | 0.9900 |
C18—C19 | 1.388 (5) | C51—H51B | 0.9900 |
C18—H18A | 0.9500 | C52—C53 | 1.513 (6) |
C19—C20 | 1.384 (5) | C52—H52A | 0.9900 |
C19—H19A | 0.9500 | C52—H52B | 0.9900 |
C20—H20A | 0.9500 | C53—C54 | 1.538 (6) |
C21—C22 | 1.334 (9) | C53—H53A | 0.9900 |
C21—C22' | 1.455 (11) | C53—H53B | 0.9900 |
C21—H21A | 0.9900 | C54—H54A | 0.9800 |
C21—H21B | 0.9900 | C54—H54B | 0.9800 |
C22—C23 | 1.580 (14) | C54—H54C | 0.9800 |
C22—H22A | 0.9900 | C55—O6 | 1.354 (4) |
C22—H22B | 0.9900 | C55—C56 | 1.386 (5) |
C23—C24 | 1.357 (14) | C55—C60 | 1.394 (5) |
C23—H23A | 0.9900 | C56—C57 | 1.396 (5) |
C23—H23B | 0.9900 | C56—H56A | 0.9500 |
C22'—C23' | 1.60 (3) | C57—C58 | 1.382 (6) |
C22'—H22C | 0.9900 | C57—H57A | 0.9500 |
C22'—H22D | 0.9900 | C58—C59 | 1.395 (6) |
C23'—C24 | 1.57 (3) | C58—H58A | 0.9500 |
C23'—H23C | 0.9900 | C59—C60 | 1.393 (5) |
C23'—H23D | 0.9900 | C59—H59A | 0.9500 |
C24—H24A | 0.9800 | C60—H60A | 0.9500 |
C24—H24B | 0.9800 | Sn1—C1 | 2.119 (4) |
C24—H24C | 0.9800 | Sn1—C11 | 2.127 (4) |
C25—C26 | 1.484 (6) | Sn1—O1 | 1.999 (2) |
C25—H25A | 0.9900 | Sn1—O3 | 2.315 (2) |
C25—H25B | 0.9900 | Sn1—O5 | 2.096 (2) |
C26—C27 | 1.587 (7) | Sn2—C21 | 2.102 (5) |
C26—H26A | 0.9900 | Sn2—C25 | 2.134 (4) |
C26—H26B | 0.9900 | Sn2—O1 | 2.098 (2) |
C27—C28 | 1.453 (8) | Sn2—O2 | 2.043 (2) |
C27—H27A | 0.9900 | Sn2—O4 | 2.275 (2) |
C27—H27B | 0.9900 | Sn3—C31 | 2.133 (4) |
C28—H28A | 0.9800 | Sn3—C35 | 2.138 (4) |
C28—H28B | 0.9800 | Sn3—O1 | 2.043 (2) |
C28—H28C | 0.9800 | Sn3—O2 | 2.107 (2) |
C31—C32 | 1.487 (5) | Sn3—O3 | 2.274 (2) |
C31—H31A | 0.9900 | Sn4—C41 | 2.140 (4) |
C31—H31B | 0.9900 | Sn4—C51 | 2.130 (4) |
C32—C33 | 1.503 (5) | Sn4—O2 | 1.998 (2) |
C32—H32A | 0.9900 | Sn4—O4 | 2.315 (2) |
C32—H32B | 0.9900 | Sn4—O6 | 2.092 (2) |
C33—C34 | 1.529 (6) | ||
C2—C1—Sn1 | 119.6 (3) | H33A—C33—H33B | 107.8 |
C2—C1—H1A | 107.4 | C33—C34—H34A | 109.5 |
Sn1—C1—H1A | 107.4 | C33—C34—H34B | 109.5 |
C2—C1—H1B | 107.4 | H34A—C34—H34B | 109.5 |
Sn1—C1—H1B | 107.4 | C33—C34—H34C | 109.5 |
H1A—C1—H1B | 106.9 | H34A—C34—H34C | 109.5 |
C1—C2—C3 | 113.5 (3) | H34B—C34—H34C | 109.5 |
C1—C2—H2A | 108.9 | C36—C35—Sn3 | 113.6 (3) |
C3—C2—H2A | 108.9 | C36—C35—H35A | 108.8 |
C1—C2—H2B | 108.9 | Sn3—C35—H35A | 108.8 |
C3—C2—H2B | 108.9 | C36—C35—H35B | 108.8 |
H2A—C2—H2B | 107.7 | Sn3—C35—H35B | 108.8 |
C4—C3—C2 | 115.3 (4) | H35A—C35—H35B | 107.7 |
C4—C3—H3A | 108.4 | C35—C36—C37 | 111.9 (5) |
C2—C3—H3A | 108.4 | C35—C36—H36A | 109.2 |
C4—C3—H3B | 108.4 | C37—C36—H36A | 109.2 |
C2—C3—H3B | 108.4 | C35—C36—H36B | 109.2 |
H3A—C3—H3B | 107.5 | C37—C36—H36B | 109.2 |
C3—C4—H4A | 109.5 | H36A—C36—H36B | 107.9 |
C3—C4—H4B | 109.5 | C38—C37—C36 | 113.1 (5) |
H4A—C4—H4B | 109.5 | C38—C37—H37A | 109.0 |
C3—C4—H4C | 109.5 | C36—C37—H37A | 109.0 |
H4A—C4—H4C | 109.5 | C38—C37—H37B | 109.0 |
H4B—C4—H4C | 109.5 | C36—C37—H37B | 109.0 |
O5—C5—C10 | 119.0 (4) | H37A—C37—H37B | 107.8 |
O5—C5—C6 | 122.1 (4) | C37—C38—H38A | 109.5 |
C10—C5—C6 | 118.9 (3) | C37—C38—H38B | 109.5 |
C7—C6—C5 | 119.2 (4) | H38A—C38—H38B | 109.5 |
C7—C6—H6A | 120.4 | C37—C38—H38C | 109.5 |
C5—C6—H6A | 120.4 | H38A—C38—H38C | 109.5 |
C8—C7—C6 | 121.0 (4) | H38B—C38—H38C | 109.5 |
C8—C7—H7A | 119.5 | C42—C41—Sn4 | 115.0 (3) |
C6—C7—H7A | 119.5 | C42—C41—H41A | 108.5 |
C7—C8—C9 | 119.7 (4) | Sn4—C41—H41A | 108.5 |
C7—C8—H8A | 120.1 | C42—C41—H41B | 108.5 |
C9—C8—H8A | 120.1 | Sn4—C41—H41B | 108.5 |
C10—C9—C8 | 120.4 (4) | H41A—C41—H41B | 107.5 |
C10—C9—H9A | 119.8 | C43—C42—C41 | 115.3 (4) |
C8—C9—H9A | 119.8 | C43—C42—H42A | 108.4 |
C9—C10—C5 | 120.7 (4) | C41—C42—H42A | 108.4 |
C9—C10—H10A | 119.6 | C43—C42—H42B | 108.4 |
C5—C10—H10A | 119.6 | C41—C42—H42B | 108.4 |
C12—C11—Sn1 | 115.4 (3) | H42A—C42—H42B | 107.5 |
C12—C11—H11A | 108.4 | C44—C43—C42 | 112.4 (5) |
Sn1—C11—H11A | 108.4 | C44—C43—H43A | 109.1 |
C12—C11—H11B | 108.4 | C42—C43—H43A | 109.1 |
Sn1—C11—H11B | 108.4 | C44—C43—H43B | 109.1 |
H11A—C11—H11B | 107.5 | C42—C43—H43B | 109.1 |
C11—C12—C13 | 110.7 (4) | H43A—C43—H43B | 107.9 |
C11—C12—H12A | 109.5 | C43—C44—H44A | 109.5 |
C13—C12—H12A | 109.5 | C43—C44—H44B | 109.5 |
C11—C12—H12B | 109.5 | H44A—C44—H44B | 109.5 |
C13—C12—H12B | 109.5 | C43—C44—H44C | 109.5 |
H12A—C12—H12B | 108.1 | H44A—C44—H44C | 109.5 |
C14—C13—C12 | 115.0 (7) | H44B—C44—H44C | 109.5 |
C14—C13—H13A | 108.5 | O4—C45—C50 | 122.2 (3) |
C12—C13—H13A | 108.5 | O4—C45—C46 | 119.7 (4) |
C14—C13—H13B | 108.5 | C50—C45—C46 | 118.0 (4) |
C12—C13—H13B | 108.5 | C47—C46—C45 | 120.4 (4) |
H13A—C13—H13B | 107.5 | C47—C46—H46A | 119.8 |
C13—C14—H14A | 109.5 | C45—C46—H46A | 119.8 |
C13—C14—H14B | 109.5 | C48—C47—C46 | 121.2 (4) |
H14A—C14—H14B | 109.5 | C48—C47—H47A | 119.4 |
C13—C14—H14C | 109.5 | C46—C47—H47A | 119.4 |
H14A—C14—H14C | 109.5 | C47—C48—C49 | 118.8 (4) |
H14B—C14—H14C | 109.5 | C47—C48—H48A | 120.6 |
O3—C15—C20 | 121.8 (3) | C49—C48—H48A | 120.6 |
O3—C15—C16 | 121.2 (3) | C48—C49—C50 | 120.7 (4) |
C20—C15—C16 | 117.0 (3) | C48—C49—H49A | 119.7 |
C17—C16—C15 | 121.1 (4) | C50—C49—H49A | 119.7 |
C17—C16—H16A | 119.4 | C45—C50—C49 | 120.9 (3) |
C15—C16—H16A | 119.4 | C45—C50—H50A | 119.5 |
C18—C17—C16 | 120.7 (3) | C49—C50—H50A | 119.5 |
C18—C17—H17A | 119.6 | C52—C51—Sn4 | 117.9 (3) |
C16—C17—H17A | 119.6 | C52—C51—H51A | 107.8 |
C17—C18—C19 | 119.6 (4) | Sn4—C51—H51A | 107.8 |
C17—C18—H18A | 120.2 | C52—C51—H51B | 107.8 |
C19—C18—H18A | 120.2 | Sn4—C51—H51B | 107.8 |
C20—C19—C18 | 119.1 (4) | H51A—C51—H51B | 107.2 |
C20—C19—H19A | 120.4 | C51—C52—C53 | 113.1 (4) |
C18—C19—H19A | 120.4 | C51—C52—H52A | 109.0 |
C19—C20—C15 | 122.4 (3) | C53—C52—H52A | 109.0 |
C19—C20—H20A | 118.8 | C51—C52—H52B | 109.0 |
C15—C20—H20A | 118.8 | C53—C52—H52B | 109.0 |
C22—C21—C22' | 60.5 (6) | H52A—C52—H52B | 107.8 |
C22—C21—Sn2 | 124.0 (5) | C52—C53—C54 | 112.9 (4) |
C22'—C21—Sn2 | 135.5 (6) | C52—C53—H53A | 109.0 |
C22—C21—H21A | 106.3 | C54—C53—H53A | 109.0 |
C22'—C21—H21A | 46.0 | C52—C53—H53B | 109.0 |
Sn2—C21—H21A | 106.3 | C54—C53—H53B | 109.0 |
C22—C21—H21B | 106.3 | H53A—C53—H53B | 107.8 |
C22'—C21—H21B | 114.4 | C53—C54—H54A | 109.5 |
Sn2—C21—H21B | 106.3 | C53—C54—H54B | 109.5 |
H21A—C21—H21B | 106.4 | H54A—C54—H54B | 109.5 |
C21—C22—C23 | 111.7 (7) | C53—C54—H54C | 109.5 |
C21—C22—H22A | 109.3 | H54A—C54—H54C | 109.5 |
C23—C22—H22A | 109.3 | H54B—C54—H54C | 109.5 |
C21—C22—H22B | 109.3 | O6—C55—C56 | 123.3 (4) |
C23—C22—H22B | 109.3 | O6—C55—C60 | 118.5 (4) |
H22A—C22—H22B | 107.9 | C56—C55—C60 | 118.2 (3) |
C24—C23—C22 | 106.3 (10) | C55—C56—C57 | 120.8 (4) |
C24—C23—H23A | 110.5 | C55—C56—H56A | 119.6 |
C22—C23—H23A | 110.5 | C57—C56—H56A | 119.6 |
C24—C23—H23B | 110.5 | C58—C57—C56 | 120.5 (4) |
C22—C23—H23B | 110.5 | C58—C57—H57A | 119.8 |
H23A—C23—H23B | 108.7 | C56—C57—H57A | 119.8 |
C21—C22'—C23' | 132.5 (13) | C57—C58—C59 | 119.6 (4) |
C21—C22'—H22C | 104.1 | C57—C58—H58A | 120.2 |
C23'—C22'—H22C | 104.1 | C59—C58—H58A | 120.2 |
C21—C22'—H22D | 104.1 | C60—C59—C58 | 119.3 (4) |
C23'—C22'—H22D | 104.1 | C60—C59—H59A | 120.4 |
H22C—C22'—H22D | 105.5 | C58—C59—H59A | 120.4 |
C24—C23'—C22' | 117.2 (13) | C59—C60—C55 | 121.6 (4) |
C24—C23'—H23C | 108.0 | C59—C60—H60A | 119.2 |
C22'—C23'—H23C | 108.0 | C55—C60—H60A | 119.2 |
C24—C23'—H23D | 108.0 | Sn1—O1—Sn3 | 120.25 (12) |
C22'—C23'—H23D | 108.0 | Sn1—O1—Sn2 | 131.61 (11) |
H23C—C23'—H23D | 107.3 | Sn3—O1—Sn2 | 108.08 (11) |
C23—C24—C23' | 27.9 (10) | Sn4—O2—Sn2 | 120.09 (12) |
C23—C24—H24A | 109.5 | Sn4—O2—Sn3 | 131.74 (11) |
C23'—C24—H24A | 92.3 | Sn2—O2—Sn3 | 107.75 (11) |
C23—C24—H24B | 109.5 | C15—O3—Sn3 | 128.4 (2) |
C23'—C24—H24B | 96.3 | C15—O3—Sn1 | 131.7 (2) |
H24A—C24—H24B | 109.5 | Sn3—O3—Sn1 | 99.60 (9) |
C23—C24—H24C | 109.5 | C45—O4—Sn2 | 126.2 (2) |
C23'—C24—H24C | 137.2 | C45—O4—Sn4 | 133.1 (2) |
H24A—C24—H24C | 109.5 | Sn2—O4—Sn4 | 99.44 (9) |
H24B—C24—H24C | 109.5 | C5—O5—Sn1 | 132.2 (3) |
C26—C25—Sn2 | 116.3 (3) | C55—O6—Sn4 | 129.1 (3) |
C26—C25—H25A | 108.2 | O1—Sn1—O5 | 78.00 (10) |
Sn2—C25—H25A | 108.2 | O1—Sn1—C1 | 113.85 (14) |
C26—C25—H25B | 108.2 | O5—Sn1—C1 | 103.18 (13) |
Sn2—C25—H25B | 108.2 | O1—Sn1—C11 | 116.19 (13) |
H25A—C25—H25B | 107.4 | O5—Sn1—C11 | 99.28 (13) |
C25—C26—C27 | 115.5 (4) | C1—Sn1—C11 | 128.22 (17) |
C25—C26—H26A | 108.4 | O1—Sn1—O3 | 70.01 (9) |
C27—C26—H26A | 108.4 | O5—Sn1—O3 | 148.00 (9) |
C25—C26—H26B | 108.4 | C1—Sn1—O3 | 89.25 (12) |
C27—C26—H26B | 108.4 | C11—Sn1—O3 | 95.57 (12) |
H26A—C26—H26B | 107.5 | O2—Sn2—O1 | 72.17 (9) |
C28—C27—C26 | 112.6 (5) | O2—Sn2—C21 | 114.97 (15) |
C28—C27—H27A | 109.1 | O1—Sn2—C21 | 101.10 (17) |
C26—C27—H27A | 109.1 | O2—Sn2—C25 | 109.63 (13) |
C28—C27—H27B | 109.1 | O1—Sn2—C25 | 100.05 (15) |
C26—C27—H27B | 109.1 | C21—Sn2—C25 | 134.59 (18) |
H27A—C27—H27B | 107.8 | O2—Sn2—O4 | 70.26 (9) |
C27—C28—H28A | 109.5 | O1—Sn2—O4 | 142.25 (9) |
C27—C28—H28B | 109.5 | C21—Sn2—O4 | 91.48 (15) |
H28A—C28—H28B | 109.5 | C25—Sn2—O4 | 95.70 (14) |
C27—C28—H28C | 109.5 | O1—Sn3—O2 | 71.99 (9) |
H28A—C28—H28C | 109.5 | O1—Sn3—C31 | 111.92 (12) |
H28B—C28—H28C | 109.5 | O2—Sn3—C31 | 99.28 (13) |
C32—C31—Sn3 | 116.6 (2) | O1—Sn3—C35 | 117.07 (13) |
C32—C31—H31A | 108.1 | O2—Sn3—C35 | 102.75 (14) |
Sn3—C31—H31A | 108.1 | C31—Sn3—C35 | 130.35 (15) |
C32—C31—H31B | 108.1 | O1—Sn3—O3 | 70.13 (9) |
Sn3—C31—H31B | 108.1 | O2—Sn3—O3 | 142.08 (8) |
H31A—C31—H31B | 107.3 | C31—Sn3—O3 | 96.25 (13) |
C31—C32—C33 | 114.5 (3) | C35—Sn3—O3 | 92.83 (14) |
C31—C32—H32A | 108.6 | O2—Sn4—O6 | 78.58 (9) |
C33—C32—H32A | 108.6 | O2—Sn4—C51 | 115.92 (14) |
C31—C32—H32B | 108.6 | O6—Sn4—C51 | 101.91 (13) |
C33—C32—H32B | 108.6 | O2—Sn4—C41 | 113.83 (13) |
H32A—C32—H32B | 107.6 | O6—Sn4—C41 | 99.26 (13) |
C32—C33—C34 | 112.9 (4) | C51—Sn4—C41 | 128.69 (17) |
C32—C33—H33A | 109.0 | O2—Sn4—O4 | 70.14 (9) |
C34—C33—H33A | 109.0 | O6—Sn4—O4 | 148.59 (9) |
C32—C33—H33B | 109.0 | C51—Sn4—O4 | 89.52 (12) |
C34—C33—H33B | 109.0 | C41—Sn4—O4 | 95.90 (12) |
Sn1—C1—C2—C3 | 177.4 (3) | Sn3—O2—Sn2—O1 | 0.56 (12) |
C1—C2—C3—C4 | −176.2 (5) | Sn4—O2—Sn2—C21 | 79.7 (2) |
O5—C5—C6—C7 | −178.9 (4) | Sn3—O2—Sn2—C21 | −93.65 (19) |
C10—C5—C6—C7 | 0.4 (6) | Sn4—O2—Sn2—C25 | −91.47 (19) |
C5—C6—C7—C8 | −1.2 (6) | Sn3—O2—Sn2—C25 | 95.14 (17) |
C6—C7—C8—C9 | 1.5 (7) | Sn4—O2—Sn2—O4 | −2.39 (13) |
C7—C8—C9—C10 | −0.9 (7) | Sn3—O2—Sn2—O4 | −175.78 (13) |
C8—C9—C10—C5 | 0.1 (6) | Sn1—O1—Sn2—O2 | 176.73 (17) |
O5—C5—C10—C9 | 179.4 (4) | Sn3—O1—Sn2—O2 | −0.57 (12) |
C6—C5—C10—C9 | 0.2 (6) | Sn1—O1—Sn2—C21 | −70.4 (2) |
Sn1—C11—C12—C13 | −168.6 (4) | Sn3—O1—Sn2—C21 | 112.30 (16) |
C11—C12—C13—C14 | −60.0 (8) | Sn1—O1—Sn2—C25 | 69.19 (19) |
O3—C15—C16—C17 | −179.6 (4) | Sn3—O1—Sn2—C25 | −108.11 (15) |
C20—C15—C16—C17 | 1.4 (6) | Sn1—O1—Sn2—O4 | −177.63 (13) |
C15—C16—C17—C18 | −1.9 (6) | Sn3—O1—Sn2—O4 | 5.1 (2) |
C16—C17—C18—C19 | 1.2 (6) | C22—C21—Sn2—O2 | 73.0 (6) |
C17—C18—C19—C20 | 0.0 (6) | C22'—C21—Sn2—O2 | 153.8 (9) |
C18—C19—C20—C15 | −0.5 (6) | C22—C21—Sn2—O1 | −2.4 (6) |
O3—C15—C20—C19 | −179.3 (4) | C22'—C21—Sn2—O1 | 78.4 (9) |
C16—C15—C20—C19 | −0.2 (6) | C22—C21—Sn2—C25 | −118.7 (6) |
C22'—C21—C22—C23 | 41.6 (9) | C22'—C21—Sn2—C25 | −37.9 (10) |
Sn2—C21—C22—C23 | 169.0 (6) | C22—C21—Sn2—O4 | 141.9 (6) |
C21—C22—C23—C24 | −177.8 (8) | C22'—C21—Sn2—O4 | −137.4 (9) |
C22—C21—C22'—C23' | −49.2 (17) | C26—C25—Sn2—O2 | 37.5 (4) |
Sn2—C21—C22'—C23' | −159.1 (15) | C26—C25—Sn2—O1 | 112.1 (4) |
C21—C22'—C23'—C24 | 60 (3) | C26—C25—Sn2—C21 | −131.3 (4) |
C22—C23—C24—C23' | 131 (3) | C26—C25—Sn2—O4 | −33.5 (4) |
C22'—C23'—C24—C23 | −48.3 (19) | C45—O4—Sn2—O2 | 170.5 (3) |
Sn2—C25—C26—C27 | −175.2 (4) | Sn4—O4—Sn2—O2 | 1.81 (10) |
C25—C26—C27—C28 | 66.2 (7) | C45—O4—Sn2—O1 | 164.8 (3) |
Sn3—C31—C32—C33 | 170.7 (3) | Sn4—O4—Sn2—O1 | −3.9 (2) |
C31—C32—C33—C34 | 178.9 (4) | C45—O4—Sn2—C21 | 54.5 (3) |
Sn3—C35—C36—C37 | −173.0 (4) | Sn4—O4—Sn2—C21 | −114.25 (17) |
C35—C36—C37—C38 | −63.5 (8) | C45—O4—Sn2—C25 | −80.6 (3) |
Sn4—C41—C42—C43 | −171.9 (4) | Sn4—O4—Sn2—C25 | 110.65 (14) |
C41—C42—C43—C44 | −67.0 (7) | Sn1—O1—Sn3—O2 | −177.11 (14) |
O4—C45—C46—C47 | −176.5 (4) | Sn2—O1—Sn3—O2 | 0.56 (12) |
C50—C45—C46—C47 | 1.1 (6) | Sn1—O1—Sn3—C31 | 89.91 (18) |
C45—C46—C47—C48 | −1.3 (7) | Sn2—O1—Sn3—C31 | −92.42 (16) |
C46—C47—C48—C49 | 0.2 (7) | Sn1—O1—Sn3—C35 | −81.69 (19) |
C47—C48—C49—C50 | 1.1 (7) | Sn2—O1—Sn3—C35 | 95.98 (17) |
O4—C45—C50—C49 | 177.7 (4) | Sn1—O1—Sn3—O3 | 1.09 (13) |
C46—C45—C50—C49 | 0.1 (6) | Sn2—O1—Sn3—O3 | 178.76 (14) |
C48—C49—C50—C45 | −1.2 (6) | Sn4—O2—Sn3—O1 | −172.90 (17) |
Sn4—C51—C52—C53 | −171.8 (3) | Sn2—O2—Sn3—O1 | −0.57 (12) |
C51—C52—C53—C54 | 179.4 (4) | Sn4—O2—Sn3—C31 | −62.75 (19) |
O6—C55—C56—C57 | −179.8 (4) | Sn2—O2—Sn3—C31 | 109.58 (14) |
C60—C55—C56—C57 | 1.0 (6) | Sn4—O2—Sn3—C35 | 72.5 (2) |
C55—C56—C57—C58 | −0.7 (6) | Sn2—O2—Sn3—C35 | −115.22 (14) |
C56—C57—C58—C59 | 0.2 (6) | Sn4—O2—Sn3—O3 | −175.65 (13) |
C57—C58—C59—C60 | −0.1 (6) | Sn2—O2—Sn3—O3 | −3.3 (2) |
C58—C59—C60—C55 | 0.4 (7) | C32—C31—Sn3—O1 | −32.1 (3) |
O6—C55—C60—C59 | 179.9 (4) | C32—C31—Sn3—O2 | −106.4 (3) |
C56—C55—C60—C59 | −0.8 (6) | C32—C31—Sn3—C35 | 138.0 (3) |
C20—C15—O3—Sn3 | 169.6 (3) | C32—C31—Sn3—O3 | 38.9 (3) |
C16—C15—O3—Sn3 | −9.4 (5) | C36—C35—Sn3—O1 | −54.2 (4) |
C20—C15—O3—Sn1 | −2.2 (5) | C36—C35—Sn3—O2 | 21.9 (4) |
C16—C15—O3—Sn1 | 178.8 (3) | C36—C35—Sn3—C31 | 136.0 (4) |
C50—C45—O4—Sn2 | −163.3 (3) | C36—C35—Sn3—O3 | −123.3 (4) |
C46—C45—O4—Sn2 | 14.2 (5) | C15—O3—Sn3—O1 | −174.6 (3) |
C50—C45—O4—Sn4 | 1.3 (6) | Sn1—O3—Sn3—O1 | −0.82 (10) |
C46—C45—O4—Sn4 | 178.9 (3) | C15—O3—Sn3—O2 | −171.8 (3) |
C10—C5—O5—Sn1 | 162.8 (3) | Sn1—O3—Sn3—O2 | 2.0 (2) |
C6—C5—O5—Sn1 | −17.9 (5) | C15—O3—Sn3—C31 | 74.3 (3) |
C56—C55—O6—Sn4 | 19.2 (5) | Sn1—O3—Sn3—C31 | −111.90 (13) |
C60—C55—O6—Sn4 | −161.6 (3) | C15—O3—Sn3—C35 | −56.8 (3) |
Sn3—O1—Sn1—O5 | 179.81 (16) | Sn1—O3—Sn3—C35 | 116.99 (13) |
Sn2—O1—Sn1—O5 | 2.77 (16) | Sn2—O2—Sn4—O6 | 179.47 (15) |
Sn3—O1—Sn1—C1 | −80.93 (18) | Sn3—O2—Sn4—O6 | −8.97 (16) |
Sn2—O1—Sn1—C1 | 102.0 (2) | Sn2—O2—Sn4—C51 | 81.66 (18) |
Sn3—O1—Sn1—C11 | 85.27 (17) | Sn3—O2—Sn4—C51 | −106.79 (19) |
Sn2—O1—Sn1—C11 | −91.8 (2) | Sn2—O2—Sn4—C41 | −85.35 (17) |
Sn3—O1—Sn1—O3 | −1.07 (12) | Sn3—O2—Sn4—C41 | 86.2 (2) |
Sn2—O1—Sn1—O3 | −178.11 (19) | Sn2—O2—Sn4—O4 | 2.35 (13) |
C5—O5—Sn1—O1 | −161.4 (3) | Sn3—O2—Sn4—O4 | 173.91 (19) |
C5—O5—Sn1—C1 | 86.6 (3) | C55—O6—Sn4—O2 | 159.9 (3) |
C5—O5—Sn1—C11 | −46.4 (3) | C55—O6—Sn4—C51 | −85.7 (3) |
C5—O5—Sn1—O3 | −163.0 (3) | C55—O6—Sn4—C41 | 47.3 (3) |
C2—C1—Sn1—O1 | −122.8 (3) | C55—O6—Sn4—O4 | 165.1 (3) |
C2—C1—Sn1—O5 | −40.3 (4) | C52—C51—Sn4—O2 | 89.1 (3) |
C2—C1—Sn1—C11 | 73.0 (4) | C52—C51—Sn4—O6 | 6.2 (3) |
C2—C1—Sn1—O3 | 169.5 (3) | C52—C51—Sn4—C41 | −106.1 (3) |
C12—C11—Sn1—O1 | −34.9 (4) | C52—C51—Sn4—O4 | 156.7 (3) |
C12—C11—Sn1—O5 | −116.0 (3) | C42—C41—Sn4—O2 | 29.3 (4) |
C12—C11—Sn1—C1 | 129.0 (3) | C42—C41—Sn4—O6 | 110.9 (3) |
C12—C11—Sn1—O3 | 35.6 (3) | C42—C41—Sn4—C51 | −135.7 (3) |
C15—O3—Sn1—O1 | 174.3 (3) | C42—C41—Sn4—O4 | −41.5 (3) |
Sn3—O3—Sn1—O1 | 0.84 (10) | C45—O4—Sn4—O2 | −169.4 (3) |
C15—O3—Sn1—O5 | 175.9 (3) | Sn2—O4—Sn4—O2 | −1.85 (10) |
Sn3—O3—Sn1—O5 | 2.5 (2) | C45—O4—Sn4—O6 | −174.8 (3) |
C15—O3—Sn1—C1 | −69.9 (3) | Sn2—O4—Sn4—O6 | −7.3 (2) |
Sn3—O3—Sn1—C1 | 116.63 (15) | C45—O4—Sn4—C51 | 72.7 (4) |
C15—O3—Sn1—C11 | 58.4 (3) | Sn2—O4—Sn4—C51 | −119.74 (14) |
Sn3—O3—Sn1—C11 | −115.03 (14) | C45—O4—Sn4—C41 | −56.1 (3) |
Sn4—O2—Sn2—O1 | 173.95 (14) | Sn2—O4—Sn4—C41 | 111.39 (14) |