| Literature DB >> 21754636 |
Abstract
The Sn(IV) atom in the title carboxyl-ate-bridged polymer, [Sn(C(7)H(7))(3)(C(9)H(7)O(2))](n), exists in a trans-C(3)SnO(2) trigonal-bipyramidal geometry (average covalent Sn-O = 2.167 Å, average dative Sn-O = 2.361 Å and average O-Sn-O = 169.6°). The polymer propagates as a helical chain along the b axis with a repeat distance that is half the b-axial length. There are four independent formula units in the asymmetric unit; two are disposed about a false center of inversion with respect to the other two so that the space group emulates a centric space group.Entities:
Year: 2011 PMID: 21754636 PMCID: PMC3120586 DOI: 10.1107/S1600536811017247
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Sn(C7H7)3(C9H7O2)] | |
| Monoclinic, | Mo |
| Hall symbol: P 2yb | Cell parameters from 8518 reflections |
| θ = 2.3–24.6° | |
| µ = 1.04 mm−1 | |
| β = 110.2838 (8)° | Block, colorless |
| 0.20 × 0.10 × 0.10 mm | |
| Bruker SMART APEX diffractometer | 22492 independent reflections |
| Radiation source: fine-focus sealed tube | 19107 reflections with |
| graphite | |
| ω scans | θmax = 27.5°, θmin = 0.8° |
| Absorption correction: multi-scan ( | |
| 47886 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| (Δ/σ)max = 0.001 | |
| 22492 reflections | Δρmax = 0.83 e Å−3 |
| 1189 parameters | Δρmin = −0.79 e Å−3 |
| 1 restraint | Absolute structure: Flack (1983), 10328 Friedel pairs |
| Primary atom site location: structure-invariant direct methods | Flack parameter: 0.00 (2) |
| Sn1 | 0.494183 (19) | 0.50003 (3) | 0.024475 (14) | 0.01855 (8) | |
| Sn2 | 0.473268 (18) | 0.73095 (3) | 0.477818 (12) | 0.01602 (7) | |
| Sn3 | 0.028304 (19) | 0.67354 (3) | 0.517422 (13) | 0.01674 (8) | |
| Sn4 | 0.005351 (19) | 0.96457 (3) | 0.977122 (13) | 0.01520 (8) | |
| O1 | 0.4760 (2) | 0.6546 (3) | 0.07388 (13) | 0.0221 (8) | |
| O2 | 0.4912 (2) | 0.8102 (4) | 0.02052 (14) | 0.0229 (8) | |
| O3 | 0.41043 (19) | 0.8820 (3) | 0.42395 (13) | 0.0203 (8) | |
| O4 | 0.47228 (19) | 1.0424 (3) | 0.47598 (13) | 0.0193 (8) | |
| O5 | 0.09833 (19) | 0.5343 (3) | 0.57185 (13) | 0.0209 (8) | |
| O6 | 0.0365 (2) | 0.3609 (4) | 0.52990 (14) | 0.0230 (8) | |
| O7 | 0.01843 (19) | 0.8125 (3) | 0.92420 (13) | 0.0190 (8) | |
| O8 | 0.00660 (19) | 0.6558 (4) | 0.97772 (12) | 0.0202 (8) | |
| C1 | 0.6043 (3) | 0.5568 (5) | 0.0369 (3) | 0.0340 (15) | |
| H1A | 0.6084 | 0.5800 | 0.0020 | 0.041* | |
| H1B | 0.6162 | 0.6356 | 0.0599 | 0.041* | |
| C2 | 0.6588 (3) | 0.4511 (5) | 0.0628 (2) | 0.0232 (12) | |
| C3 | 0.6710 (4) | 0.4125 (8) | 0.1158 (3) | 0.0452 (19) | |
| H3 | 0.6469 | 0.4562 | 0.1364 | 0.054* | |
| C4 | 0.7182 (4) | 0.3103 (9) | 0.1379 (3) | 0.059 (2) | |
| H4 | 0.7246 | 0.2824 | 0.1733 | 0.070* | |
| C5 | 0.7559 (4) | 0.2487 (6) | 0.1100 (3) | 0.0441 (18) | |
| H5 | 0.7887 | 0.1798 | 0.1259 | 0.053* | |
| C6 | 0.7456 (4) | 0.2872 (6) | 0.0598 (3) | 0.0368 (15) | |
| H6 | 0.7726 | 0.2465 | 0.0405 | 0.044* | |
| C7 | 0.6965 (3) | 0.3852 (5) | 0.0354 (2) | 0.0286 (13) | |
| H7 | 0.6887 | 0.4074 | −0.0008 | 0.034* | |
| C8 | 0.4075 (3) | 0.5580 (5) | −0.0464 (2) | 0.0246 (12) | |
| H8A | 0.3876 | 0.6422 | −0.0394 | 0.030* | |
| H8B | 0.4276 | 0.5727 | −0.0753 | 0.030* | |
| C9 | 0.3466 (3) | 0.4614 (5) | −0.0655 (2) | 0.0235 (12) | |
| C10 | 0.3005 (3) | 0.4389 (5) | −0.0364 (3) | 0.0299 (14) | |
| H10 | 0.3088 | 0.4844 | −0.0037 | 0.036* | |
| C11 | 0.2438 (3) | 0.3526 (6) | −0.0539 (3) | 0.0399 (16) | |
| H11 | 0.2134 | 0.3382 | −0.0333 | 0.048* | |
| C12 | 0.2307 (4) | 0.2866 (6) | −0.1016 (3) | 0.054 (2) | |
| H12 | 0.1910 | 0.2277 | −0.1140 | 0.064* | |
| C13 | 0.2759 (4) | 0.3064 (7) | −0.1316 (3) | 0.0476 (18) | |
| H13 | 0.2676 | 0.2608 | −0.1643 | 0.057* | |
| C14 | 0.3328 (4) | 0.3931 (6) | −0.1128 (3) | 0.0338 (15) | |
| H14 | 0.3637 | 0.4065 | −0.1331 | 0.041* | |
| C15 | 0.4723 (3) | 0.3541 (5) | 0.0752 (2) | 0.0249 (12) | |
| H15A | 0.4236 | 0.3174 | 0.0556 | 0.030* | |
| H15B | 0.5079 | 0.2826 | 0.0794 | 0.030* | |
| C16 | 0.4741 (3) | 0.3910 (5) | 0.1306 (2) | 0.0205 (11) | |
| C17 | 0.4169 (3) | 0.4589 (5) | 0.1382 (2) | 0.0234 (12) | |
| H17 | 0.3763 | 0.4841 | 0.1080 | 0.028* | |
| C18 | 0.4183 (3) | 0.4900 (5) | 0.1887 (2) | 0.0259 (12) | |
| H18 | 0.3779 | 0.5340 | 0.1929 | 0.031* | |
| C19 | 0.4764 (4) | 0.4590 (6) | 0.2329 (2) | 0.0342 (14) | |
| H19 | 0.4775 | 0.4838 | 0.2676 | 0.041* | |
| C20 | 0.5333 (4) | 0.3916 (6) | 0.2266 (2) | 0.0355 (14) | |
| H20 | 0.5738 | 0.3676 | 0.2571 | 0.043* | |
| C21 | 0.5321 (3) | 0.3580 (6) | 0.1756 (2) | 0.0311 (13) | |
| H21 | 0.5721 | 0.3116 | 0.1718 | 0.037* | |
| C22 | 0.4771 (3) | 0.7744 (5) | 0.0616 (2) | 0.0207 (12) | |
| C23 | 0.4620 (3) | 0.8704 (5) | 0.0971 (2) | 0.0230 (12) | |
| H23 | 0.4609 | 0.9605 | 0.0882 | 0.028* | |
| C24 | 0.4498 (3) | 0.8353 (5) | 0.1416 (2) | 0.0196 (11) | |
| H24 | 0.4505 | 0.7443 | 0.1487 | 0.024* | |
| C25 | 0.4353 (3) | 0.9221 (5) | 0.1807 (2) | 0.0185 (11) | |
| C26 | 0.4330 (3) | 0.8699 (6) | 0.2287 (2) | 0.0265 (12) | |
| H26 | 0.4414 | 0.7792 | 0.2356 | 0.032* | |
| C27 | 0.4188 (3) | 0.9474 (5) | 0.2661 (2) | 0.0274 (13) | |
| H27 | 0.4174 | 0.9103 | 0.2985 | 0.033* | |
| C28 | 0.4065 (3) | 1.0788 (5) | 0.2565 (2) | 0.0248 (12) | |
| H28 | 0.3959 | 1.1323 | 0.2820 | 0.030* | |
| C29 | 0.4094 (3) | 1.1328 (5) | 0.2102 (2) | 0.0293 (13) | |
| H29 | 0.4016 | 1.2239 | 0.2039 | 0.035* | |
| C30 | 0.4236 (3) | 1.0553 (5) | 0.1727 (2) | 0.0269 (13) | |
| H30 | 0.4255 | 1.0938 | 0.1407 | 0.032* | |
| C31 | 0.4127 (3) | 0.5818 (5) | 0.4236 (2) | 0.0247 (12) | |
| H31A | 0.4468 | 0.5336 | 0.4104 | 0.030* | |
| H31B | 0.3942 | 0.5193 | 0.4442 | 0.030* | |
| C32 | 0.3498 (3) | 0.6254 (4) | 0.3762 (2) | 0.0201 (11) | |
| C33 | 0.3584 (3) | 0.6618 (6) | 0.32802 (19) | 0.0274 (12) | |
| H33 | 0.4051 | 0.6545 | 0.3249 | 0.033* | |
| C34 | 0.3016 (4) | 0.7078 (6) | 0.2854 (2) | 0.0386 (16) | |
| H34 | 0.3096 | 0.7337 | 0.2536 | 0.046* | |
| C35 | 0.2325 (3) | 0.7166 (5) | 0.2882 (2) | 0.0320 (14) | |
| H35 | 0.1930 | 0.7481 | 0.2586 | 0.038* | |
| C36 | 0.2216 (3) | 0.6789 (6) | 0.3348 (2) | 0.0295 (12) | |
| H36 | 0.1744 | 0.6831 | 0.3373 | 0.035* | |
| C37 | 0.2801 (3) | 0.6352 (5) | 0.3778 (2) | 0.0227 (12) | |
| H37 | 0.2721 | 0.6109 | 0.4098 | 0.027* | |
| C38 | 0.4420 (3) | 0.7885 (5) | 0.5446 (2) | 0.0228 (11) | |
| H38A | 0.4860 | 0.8185 | 0.5740 | 0.027* | |
| H38B | 0.4082 | 0.8635 | 0.5336 | 0.027* | |
| C39 | 0.4064 (3) | 0.6834 (5) | 0.56550 (19) | 0.0190 (11) | |
| C40 | 0.3371 (3) | 0.6403 (5) | 0.5355 (2) | 0.0233 (12) | |
| H40 | 0.3121 | 0.6802 | 0.5019 | 0.028* | |
| C41 | 0.3034 (3) | 0.5407 (5) | 0.5532 (2) | 0.0289 (13) | |
| H41 | 0.2563 | 0.5116 | 0.5314 | 0.035* | |
| C42 | 0.3376 (3) | 0.4838 (5) | 0.6021 (2) | 0.0292 (13) | |
| H42 | 0.3145 | 0.4157 | 0.6144 | 0.035* | |
| C43 | 0.4055 (3) | 0.5260 (5) | 0.6331 (2) | 0.0288 (13) | |
| H43 | 0.4294 | 0.4875 | 0.6671 | 0.035* | |
| C44 | 0.4395 (3) | 0.6249 (5) | 0.6149 (2) | 0.0235 (12) | |
| H44 | 0.4866 | 0.6531 | 0.6369 | 0.028* | |
| C45 | 0.5767 (3) | 0.7892 (5) | 0.4745 (2) | 0.0188 (11) | |
| H45A | 0.5720 | 0.8779 | 0.4588 | 0.023* | |
| H45B | 0.6123 | 0.7939 | 0.5114 | 0.023* | |
| C46 | 0.6058 (3) | 0.6986 (4) | 0.4421 (2) | 0.0200 (11) | |
| C47 | 0.5753 (3) | 0.6973 (5) | 0.3862 (2) | 0.0274 (13) | |
| H47 | 0.5345 | 0.7513 | 0.3688 | 0.033* | |
| C48 | 0.6036 (4) | 0.6189 (6) | 0.3561 (2) | 0.0339 (15) | |
| H48 | 0.5815 | 0.6187 | 0.3182 | 0.041* | |
| C49 | 0.6631 (4) | 0.5412 (6) | 0.3802 (2) | 0.0359 (15) | |
| H49 | 0.6832 | 0.4894 | 0.3591 | 0.043* | |
| C50 | 0.6932 (3) | 0.5396 (5) | 0.4352 (2) | 0.0323 (14) | |
| H50 | 0.7336 | 0.4844 | 0.4523 | 0.039* | |
| C51 | 0.6652 (3) | 0.6174 (5) | 0.4658 (2) | 0.0255 (12) | |
| H51 | 0.6869 | 0.6154 | 0.5037 | 0.031* | |
| C52 | 0.4226 (3) | 1.0026 (5) | 0.43487 (18) | 0.0173 (10) | |
| C53 | 0.3748 (3) | 1.0960 (5) | 0.3960 (2) | 0.0209 (12) | |
| H53 | 0.3868 | 1.1863 | 0.4000 | 0.025* | |
| C54 | 0.3165 (3) | 1.0594 (5) | 0.35629 (19) | 0.0186 (11) | |
| H54 | 0.3071 | 0.9681 | 0.3537 | 0.022* | |
| C55 | 0.2638 (3) | 1.1401 (5) | 0.3153 (2) | 0.0197 (11) | |
| C56 | 0.2761 (3) | 1.2723 (5) | 0.3087 (2) | 0.0246 (13) | |
| H56 | 0.3199 | 1.3127 | 0.3307 | 0.030* | |
| C57 | 0.2234 (4) | 1.3452 (6) | 0.2693 (2) | 0.0369 (16) | |
| H57 | 0.2316 | 1.4351 | 0.2647 | 0.044* | |
| C58 | 0.1606 (4) | 1.2879 (7) | 0.2376 (2) | 0.0394 (17) | |
| H58 | 0.1255 | 1.3381 | 0.2109 | 0.047* | |
| C59 | 0.1474 (3) | 1.1582 (7) | 0.2438 (2) | 0.0391 (16) | |
| H59 | 0.1030 | 1.1191 | 0.2221 | 0.047* | |
| C60 | 0.1993 (3) | 1.0849 (6) | 0.2821 (2) | 0.0286 (13) | |
| H60 | 0.1905 | 0.9947 | 0.2857 | 0.034* | |
| C61 | 0.0888 (3) | 0.8352 (5) | 0.5635 (2) | 0.0232 (12) | |
| H61A | 0.1113 | 0.8824 | 0.5407 | 0.028* | |
| H61B | 0.0534 | 0.8956 | 0.5701 | 0.028* | |
| C62 | 0.1474 (3) | 0.8092 (5) | 0.6162 (2) | 0.0187 (11) | |
| C63 | 0.2155 (3) | 0.7625 (5) | 0.6187 (2) | 0.0227 (12) | |
| H63 | 0.2243 | 0.7460 | 0.5864 | 0.027* | |
| C64 | 0.2702 (3) | 0.7397 (5) | 0.6669 (2) | 0.0258 (12) | |
| H64 | 0.3163 | 0.7088 | 0.6676 | 0.031* | |
| C65 | 0.2581 (3) | 0.7618 (5) | 0.7140 (2) | 0.0292 (14) | |
| H65 | 0.2951 | 0.7443 | 0.7474 | 0.035* | |
| C66 | 0.1910 (3) | 0.8099 (6) | 0.7120 (2) | 0.0357 (14) | |
| H66 | 0.1827 | 0.8280 | 0.7444 | 0.043* | |
| C67 | 0.1363 (3) | 0.8318 (5) | 0.6637 (2) | 0.0251 (12) | |
| H67 | 0.0904 | 0.8629 | 0.6632 | 0.030* | |
| C68 | −0.0718 (3) | 0.6155 (5) | 0.5268 (2) | 0.0214 (11) | |
| H68A | −0.1100 | 0.6092 | 0.4909 | 0.026* | |
| H68B | −0.0654 | 0.5275 | 0.5432 | 0.026* | |
| C69 | −0.0970 (3) | 0.7083 (4) | 0.5609 (2) | 0.0213 (12) | |
| C70 | −0.0571 (3) | 0.7209 (6) | 0.6152 (2) | 0.0266 (12) | |
| H70 | −0.0123 | 0.6754 | 0.6300 | 0.032* | |
| C71 | −0.0816 (3) | 0.7986 (6) | 0.6478 (2) | 0.0310 (14) | |
| H71 | −0.0540 | 0.8048 | 0.6849 | 0.037* | |
| C72 | −0.1456 (3) | 0.8671 (6) | 0.6268 (2) | 0.0327 (14) | |
| H72 | −0.1620 | 0.9210 | 0.6493 | 0.039* | |
| C73 | −0.1860 (3) | 0.8574 (6) | 0.5729 (2) | 0.0355 (15) | |
| H73 | −0.2303 | 0.9045 | 0.5583 | 0.043* | |
| C74 | −0.1613 (3) | 0.7780 (5) | 0.5399 (2) | 0.0259 (13) | |
| H74 | −0.1889 | 0.7719 | 0.5028 | 0.031* | |
| C75 | 0.0512 (3) | 0.6192 (5) | 0.44671 (19) | 0.0213 (11) | |
| H75A | 0.0834 | 0.5418 | 0.4549 | 0.026* | |
| H75B | 0.0051 | 0.5944 | 0.4182 | 0.026* | |
| C76 | 0.0868 (3) | 0.7266 (5) | 0.42624 (19) | 0.0206 (11) | |
| C77 | 0.0490 (3) | 0.7940 (5) | 0.3790 (2) | 0.0220 (12) | |
| H77 | 0.0005 | 0.7695 | 0.3588 | 0.026* | |
| C78 | 0.0817 (3) | 0.8971 (5) | 0.3613 (2) | 0.0283 (13) | |
| H78 | 0.0557 | 0.9412 | 0.3289 | 0.034* | |
| C79 | 0.1511 (3) | 0.9339 (5) | 0.3908 (2) | 0.0254 (13) | |
| H79 | 0.1724 | 1.0063 | 0.3794 | 0.030* | |
| C80 | 0.1908 (3) | 0.8678 (5) | 0.4368 (2) | 0.0266 (12) | |
| H80 | 0.2397 | 0.8921 | 0.4564 | 0.032* | |
| C81 | 0.1583 (3) | 0.7657 (5) | 0.4541 (2) | 0.0269 (13) | |
| H81 | 0.1855 | 0.7206 | 0.4859 | 0.032* | |
| C82 | 0.0870 (3) | 0.4108 (5) | 0.5670 (2) | 0.0192 (11) | |
| C83 | 0.1389 (3) | 0.3275 (5) | 0.6085 (2) | 0.0197 (11) | |
| H83 | 0.1327 | 0.2354 | 0.6062 | 0.024* | |
| C84 | 0.1945 (3) | 0.3780 (5) | 0.6491 (2) | 0.0215 (11) | |
| H84 | 0.1982 | 0.4705 | 0.6497 | 0.026* | |
| C85 | 0.2497 (3) | 0.3101 (5) | 0.6923 (2) | 0.0215 (11) | |
| C86 | 0.3104 (3) | 0.3805 (5) | 0.7234 (2) | 0.0222 (11) | |
| H86 | 0.3130 | 0.4712 | 0.7168 | 0.027* | |
| C87 | 0.3672 (3) | 0.3224 (5) | 0.7637 (2) | 0.0266 (13) | |
| H87 | 0.4087 | 0.3719 | 0.7837 | 0.032* | |
| C88 | 0.3628 (3) | 0.1911 (6) | 0.7745 (2) | 0.0299 (14) | |
| H88 | 0.4014 | 0.1504 | 0.8021 | 0.036* | |
| C89 | 0.3017 (3) | 0.1181 (6) | 0.7448 (2) | 0.0309 (13) | |
| H89 | 0.2984 | 0.0286 | 0.7530 | 0.037* | |
| C90 | 0.2466 (3) | 0.1755 (6) | 0.70375 (19) | 0.0233 (11) | |
| H90 | 0.2061 | 0.1247 | 0.6829 | 0.028* | |
| C91 | −0.1039 (3) | 0.9099 (5) | 0.9703 (2) | 0.0185 (11) | |
| H91A | −0.1149 | 0.8220 | 0.9540 | 0.022* | |
| H91B | −0.1074 | 0.9056 | 1.0065 | 0.022* | |
| C92 | −0.1584 (3) | 1.0044 (5) | 0.9372 (2) | 0.0211 (11) | |
| C93 | −0.1720 (3) | 1.0147 (6) | 0.8833 (2) | 0.0308 (14) | |
| H93 | −0.1473 | 0.9579 | 0.8671 | 0.037* | |
| C94 | −0.2202 (4) | 1.1044 (7) | 0.8519 (2) | 0.0369 (16) | |
| H94 | −0.2286 | 1.1085 | 0.8146 | 0.044* | |
| C95 | −0.2562 (3) | 1.1883 (6) | 0.8745 (2) | 0.0325 (14) | |
| H95 | −0.2886 | 1.2519 | 0.8530 | 0.039* | |
| C96 | −0.2451 (3) | 1.1797 (6) | 0.9285 (2) | 0.0275 (12) | |
| H96 | −0.2706 | 1.2359 | 0.9443 | 0.033* | |
| C97 | −0.1961 (3) | 1.0882 (5) | 0.9599 (2) | 0.0256 (12) | |
| H97 | −0.1882 | 1.0826 | 0.9971 | 0.031* | |
| C98 | 0.0961 (3) | 0.9066 (5) | 1.0462 (2) | 0.0240 (12) | |
| H98A | 0.0783 | 0.8867 | 1.0759 | 0.029* | |
| H98B | 0.1174 | 0.8255 | 1.0376 | 0.029* | |
| C99 | 0.1547 (3) | 1.0089 (5) | 1.0646 (2) | 0.0205 (11) | |
| C100 | 0.1679 (3) | 1.0771 (6) | 1.1124 (2) | 0.0279 (13) | |
| H100 | 0.1397 | 1.0594 | 1.1344 | 0.034* | |
| C101 | 0.2226 (3) | 1.1710 (6) | 1.1278 (2) | 0.0376 (15) | |
| H101 | 0.2324 | 1.2151 | 1.1610 | 0.045* | |
| C102 | 0.2626 (3) | 1.2015 (6) | 1.0962 (3) | 0.0395 (16) | |
| H102 | 0.2981 | 1.2688 | 1.1064 | 0.047* | |
| C103 | 0.2507 (3) | 1.1338 (6) | 1.0499 (2) | 0.0364 (15) | |
| H103 | 0.2796 | 1.1519 | 1.0285 | 0.044* | |
| C104 | 0.1969 (3) | 1.0384 (6) | 1.0336 (2) | 0.0297 (13) | |
| H104 | 0.1889 | 0.9931 | 1.0009 | 0.036* | |
| C105 | 0.0206 (3) | 1.1114 (5) | 0.92432 (19) | 0.0197 (11) | |
| H10A | −0.0204 | 1.1736 | 0.9164 | 0.024* | |
| H10B | 0.0655 | 1.1603 | 0.9442 | 0.024* | |
| C106 | 0.0264 (3) | 1.0695 (5) | 0.8717 (2) | 0.0184 (11) | |
| C107 | 0.0906 (3) | 1.0169 (5) | 0.8689 (2) | 0.0214 (11) | |
| H107 | 0.1314 | 1.0073 | 0.9009 | 0.026* | |
| C108 | 0.0966 (3) | 0.9781 (5) | 0.8207 (2) | 0.0290 (13) | |
| H108 | 0.1411 | 0.9438 | 0.8196 | 0.035* | |
| C109 | 0.0365 (4) | 0.9903 (6) | 0.7740 (2) | 0.0333 (14) | |
| H109 | 0.0397 | 0.9631 | 0.7408 | 0.040* | |
| C110 | −0.0274 (4) | 1.0413 (6) | 0.7757 (2) | 0.0343 (14) | |
| H110 | −0.0684 | 1.0492 | 0.7437 | 0.041* | |
| C111 | −0.0321 (3) | 1.0813 (5) | 0.8239 (2) | 0.0256 (12) | |
| H111 | −0.0764 | 1.1178 | 0.8245 | 0.031* | |
| C112 | 0.0173 (3) | 0.6923 (5) | 0.9362 (2) | 0.0186 (11) | |
| C113 | 0.0302 (3) | 0.5973 (5) | 0.89888 (19) | 0.0207 (11) | |
| H113 | 0.0291 | 0.5068 | 0.9063 | 0.025* | |
| C114 | 0.0434 (3) | 0.6336 (5) | 0.85527 (18) | 0.0171 (10) | |
| H114 | 0.0420 | 0.7248 | 0.8484 | 0.021* | |
| C115 | 0.0600 (3) | 0.5495 (5) | 0.8165 (2) | 0.0209 (11) | |
| C116 | 0.0818 (3) | 0.6041 (6) | 0.7767 (2) | 0.0288 (13) | |
| H116 | 0.0833 | 0.6964 | 0.7737 | 0.035* | |
| C117 | 0.1014 (3) | 0.5260 (6) | 0.7412 (2) | 0.0336 (14) | |
| H117 | 0.1169 | 0.5651 | 0.7146 | 0.040* | |
| C118 | 0.0984 (3) | 0.3923 (6) | 0.7444 (2) | 0.0283 (13) | |
| H118 | 0.1114 | 0.3391 | 0.7200 | 0.034* | |
| C119 | 0.0764 (4) | 0.3354 (5) | 0.7832 (2) | 0.0370 (16) | |
| H119 | 0.0744 | 0.2430 | 0.7856 | 0.044* | |
| C120 | 0.0571 (4) | 0.4140 (5) | 0.8189 (2) | 0.0334 (15) | |
| H120 | 0.0416 | 0.3743 | 0.8454 | 0.040* |
| Sn1 | 0.02054 (19) | 0.01135 (17) | 0.02684 (18) | −0.00035 (15) | 0.01212 (16) | −0.00068 (14) |
| Sn2 | 0.01615 (18) | 0.01263 (15) | 0.01848 (17) | −0.00024 (14) | 0.00497 (14) | 0.00100 (14) |
| Sn3 | 0.01770 (18) | 0.01492 (16) | 0.01692 (16) | −0.00074 (15) | 0.00515 (14) | 0.00023 (14) |
| Sn4 | 0.01741 (19) | 0.01094 (17) | 0.01841 (17) | 0.00012 (13) | 0.00769 (15) | −0.00003 (13) |
| O1 | 0.033 (2) | 0.0103 (19) | 0.0251 (19) | −0.0041 (16) | 0.0131 (17) | −0.0019 (15) |
| O2 | 0.030 (2) | 0.012 (2) | 0.032 (2) | 0.0001 (16) | 0.0175 (18) | 0.0019 (15) |
| O3 | 0.022 (2) | 0.0082 (17) | 0.0250 (19) | 0.0011 (14) | 0.0010 (16) | −0.0017 (14) |
| O4 | 0.021 (2) | 0.0164 (18) | 0.0198 (18) | −0.0020 (15) | 0.0057 (16) | −0.0016 (14) |
| O5 | 0.025 (2) | 0.0141 (19) | 0.0193 (18) | −0.0006 (15) | 0.0021 (16) | −0.0014 (14) |
| O6 | 0.023 (2) | 0.0195 (19) | 0.0224 (19) | −0.0011 (15) | 0.0025 (16) | −0.0008 (15) |
| O7 | 0.029 (2) | 0.0096 (18) | 0.0227 (18) | 0.0011 (15) | 0.0146 (16) | 0.0020 (14) |
| O8 | 0.026 (2) | 0.017 (2) | 0.0214 (18) | −0.0013 (16) | 0.0129 (17) | 0.0032 (15) |
| C1 | 0.026 (3) | 0.016 (3) | 0.063 (4) | −0.003 (2) | 0.019 (3) | −0.006 (3) |
| C2 | 0.019 (3) | 0.021 (3) | 0.029 (3) | −0.011 (2) | 0.008 (3) | −0.005 (2) |
| C3 | 0.024 (4) | 0.084 (6) | 0.029 (4) | −0.008 (3) | 0.011 (3) | −0.017 (3) |
| C4 | 0.033 (4) | 0.113 (7) | 0.022 (3) | −0.014 (4) | 0.000 (3) | 0.021 (4) |
| C5 | 0.026 (4) | 0.038 (4) | 0.053 (4) | −0.009 (3) | −0.006 (3) | 0.014 (3) |
| C6 | 0.038 (4) | 0.029 (3) | 0.038 (4) | 0.000 (3) | 0.006 (3) | −0.008 (3) |
| C7 | 0.034 (4) | 0.023 (3) | 0.033 (3) | 0.003 (3) | 0.017 (3) | 0.000 (2) |
| C8 | 0.025 (3) | 0.022 (3) | 0.028 (3) | 0.003 (2) | 0.010 (3) | 0.002 (2) |
| C9 | 0.029 (3) | 0.015 (3) | 0.028 (3) | 0.003 (2) | 0.012 (3) | 0.003 (2) |
| C10 | 0.026 (3) | 0.032 (3) | 0.036 (3) | 0.004 (2) | 0.015 (3) | 0.005 (2) |
| C11 | 0.029 (4) | 0.040 (4) | 0.053 (4) | 0.002 (3) | 0.016 (3) | 0.016 (3) |
| C12 | 0.024 (4) | 0.024 (3) | 0.099 (6) | −0.009 (3) | 0.004 (4) | 0.001 (4) |
| C13 | 0.036 (4) | 0.038 (4) | 0.061 (5) | −0.004 (3) | 0.008 (4) | −0.022 (4) |
| C14 | 0.028 (4) | 0.040 (4) | 0.037 (4) | −0.004 (3) | 0.015 (3) | −0.009 (3) |
| C15 | 0.031 (3) | 0.013 (3) | 0.031 (3) | 0.003 (2) | 0.012 (3) | 0.002 (2) |
| C16 | 0.024 (3) | 0.015 (3) | 0.024 (3) | −0.003 (2) | 0.011 (2) | 0.004 (2) |
| C17 | 0.025 (3) | 0.013 (2) | 0.030 (3) | −0.003 (2) | 0.008 (2) | 0.002 (2) |
| C18 | 0.028 (3) | 0.017 (3) | 0.037 (3) | −0.005 (2) | 0.017 (3) | −0.002 (2) |
| C19 | 0.047 (4) | 0.031 (3) | 0.029 (3) | −0.016 (3) | 0.019 (3) | −0.007 (3) |
| C20 | 0.032 (4) | 0.046 (4) | 0.026 (3) | −0.001 (3) | 0.006 (3) | 0.001 (3) |
| C21 | 0.028 (3) | 0.031 (3) | 0.037 (3) | 0.005 (2) | 0.014 (3) | 0.004 (3) |
| C22 | 0.019 (3) | 0.019 (3) | 0.025 (3) | −0.003 (2) | 0.008 (2) | −0.002 (2) |
| C23 | 0.024 (3) | 0.011 (3) | 0.039 (3) | −0.004 (2) | 0.018 (3) | −0.006 (2) |
| C24 | 0.019 (3) | 0.011 (2) | 0.029 (3) | −0.001 (2) | 0.007 (2) | 0.000 (2) |
| C25 | 0.017 (3) | 0.014 (3) | 0.025 (3) | 0.000 (2) | 0.007 (2) | −0.001 (2) |
| C26 | 0.024 (3) | 0.024 (3) | 0.034 (3) | −0.002 (2) | 0.013 (2) | 0.002 (2) |
| C27 | 0.031 (3) | 0.030 (3) | 0.026 (3) | −0.005 (2) | 0.016 (3) | 0.000 (2) |
| C28 | 0.026 (3) | 0.025 (3) | 0.025 (3) | −0.002 (2) | 0.011 (2) | −0.011 (2) |
| C29 | 0.040 (4) | 0.019 (3) | 0.029 (3) | 0.002 (2) | 0.011 (3) | −0.003 (2) |
| C30 | 0.042 (4) | 0.021 (3) | 0.021 (3) | 0.005 (2) | 0.015 (3) | 0.003 (2) |
| C31 | 0.023 (3) | 0.018 (3) | 0.027 (3) | −0.004 (2) | 0.002 (2) | 0.000 (2) |
| C32 | 0.018 (3) | 0.011 (2) | 0.028 (3) | −0.0044 (19) | 0.003 (2) | −0.005 (2) |
| C33 | 0.026 (3) | 0.035 (3) | 0.022 (3) | −0.007 (3) | 0.009 (2) | −0.009 (3) |
| C34 | 0.050 (4) | 0.043 (4) | 0.017 (3) | −0.022 (3) | 0.003 (3) | −0.002 (2) |
| C35 | 0.036 (4) | 0.019 (3) | 0.027 (3) | −0.009 (3) | −0.008 (3) | −0.002 (2) |
| C36 | 0.023 (3) | 0.032 (3) | 0.027 (3) | 0.005 (3) | 0.002 (2) | −0.010 (3) |
| C37 | 0.021 (3) | 0.026 (3) | 0.020 (3) | −0.005 (2) | 0.006 (2) | 0.000 (2) |
| C38 | 0.023 (3) | 0.019 (3) | 0.025 (3) | −0.005 (2) | 0.006 (2) | 0.002 (2) |
| C39 | 0.019 (3) | 0.019 (2) | 0.022 (2) | 0.004 (2) | 0.011 (2) | 0.001 (2) |
| C40 | 0.017 (3) | 0.028 (3) | 0.025 (3) | 0.006 (2) | 0.007 (2) | 0.003 (2) |
| C41 | 0.018 (3) | 0.034 (3) | 0.039 (3) | −0.003 (2) | 0.015 (3) | −0.003 (3) |
| C42 | 0.030 (3) | 0.024 (3) | 0.039 (3) | 0.002 (2) | 0.019 (3) | 0.003 (2) |
| C43 | 0.036 (3) | 0.029 (3) | 0.028 (3) | 0.005 (3) | 0.020 (3) | 0.008 (2) |
| C44 | 0.016 (3) | 0.029 (3) | 0.026 (3) | 0.000 (2) | 0.008 (2) | −0.001 (2) |
| C45 | 0.015 (3) | 0.018 (2) | 0.023 (3) | −0.001 (2) | 0.007 (2) | 0.002 (2) |
| C46 | 0.025 (3) | 0.010 (3) | 0.025 (3) | −0.0059 (19) | 0.009 (2) | −0.0044 (18) |
| C47 | 0.029 (3) | 0.023 (3) | 0.030 (3) | −0.002 (2) | 0.010 (3) | −0.003 (2) |
| C48 | 0.039 (4) | 0.035 (3) | 0.028 (3) | −0.010 (3) | 0.014 (3) | −0.008 (3) |
| C49 | 0.047 (4) | 0.026 (3) | 0.045 (4) | 0.006 (3) | 0.029 (3) | −0.004 (3) |
| C50 | 0.035 (3) | 0.025 (3) | 0.044 (3) | 0.010 (3) | 0.022 (3) | 0.009 (3) |
| C51 | 0.028 (3) | 0.024 (3) | 0.028 (3) | 0.004 (2) | 0.015 (3) | 0.007 (2) |
| C52 | 0.018 (3) | 0.019 (2) | 0.017 (2) | 0.002 (2) | 0.008 (2) | 0.002 (2) |
| C53 | 0.030 (3) | 0.013 (2) | 0.025 (3) | 0.004 (2) | 0.016 (3) | −0.002 (2) |
| C54 | 0.025 (3) | 0.014 (2) | 0.017 (3) | −0.001 (2) | 0.007 (2) | 0.0006 (19) |
| C55 | 0.022 (3) | 0.019 (3) | 0.020 (3) | 0.005 (2) | 0.010 (2) | 0.003 (2) |
| C56 | 0.032 (3) | 0.018 (3) | 0.026 (3) | 0.009 (2) | 0.014 (3) | 0.004 (2) |
| C57 | 0.064 (5) | 0.019 (3) | 0.035 (3) | 0.020 (3) | 0.027 (3) | 0.009 (3) |
| C58 | 0.042 (4) | 0.050 (4) | 0.034 (3) | 0.030 (3) | 0.022 (3) | 0.020 (3) |
| C59 | 0.030 (3) | 0.062 (5) | 0.023 (3) | 0.013 (3) | 0.007 (3) | 0.002 (3) |
| C60 | 0.035 (4) | 0.031 (3) | 0.021 (3) | 0.002 (3) | 0.010 (3) | 0.003 (2) |
| C61 | 0.022 (3) | 0.017 (3) | 0.025 (3) | −0.001 (2) | 0.000 (2) | 0.003 (2) |
| C62 | 0.027 (3) | 0.011 (2) | 0.017 (3) | −0.008 (2) | 0.007 (2) | −0.0025 (19) |
| C63 | 0.023 (3) | 0.027 (3) | 0.020 (3) | −0.001 (2) | 0.009 (2) | −0.001 (2) |
| C64 | 0.022 (3) | 0.019 (2) | 0.033 (3) | 0.000 (2) | 0.005 (2) | −0.004 (2) |
| C65 | 0.024 (3) | 0.033 (4) | 0.020 (3) | −0.004 (2) | −0.006 (2) | 0.002 (2) |
| C66 | 0.031 (3) | 0.057 (4) | 0.022 (3) | −0.006 (3) | 0.013 (3) | −0.008 (3) |
| C67 | 0.015 (3) | 0.035 (3) | 0.023 (3) | 0.001 (2) | 0.003 (2) | −0.002 (2) |
| C68 | 0.026 (3) | 0.017 (3) | 0.022 (3) | 0.000 (2) | 0.010 (2) | −0.002 (2) |
| C69 | 0.022 (3) | 0.016 (3) | 0.029 (3) | −0.0063 (19) | 0.014 (2) | −0.001 (2) |
| C70 | 0.026 (3) | 0.027 (3) | 0.025 (3) | −0.006 (2) | 0.008 (2) | 0.000 (2) |
| C71 | 0.035 (4) | 0.035 (3) | 0.024 (3) | −0.010 (3) | 0.013 (3) | −0.005 (3) |
| C72 | 0.040 (4) | 0.029 (3) | 0.038 (3) | −0.008 (3) | 0.026 (3) | −0.011 (3) |
| C73 | 0.032 (4) | 0.035 (3) | 0.047 (4) | 0.009 (3) | 0.024 (3) | 0.000 (3) |
| C74 | 0.030 (4) | 0.026 (3) | 0.022 (3) | −0.004 (2) | 0.010 (3) | −0.006 (2) |
| C75 | 0.024 (3) | 0.021 (3) | 0.021 (3) | 0.001 (2) | 0.010 (2) | 0.000 (2) |
| C76 | 0.026 (3) | 0.018 (2) | 0.019 (2) | 0.003 (2) | 0.009 (2) | −0.006 (2) |
| C77 | 0.022 (3) | 0.028 (3) | 0.018 (3) | 0.003 (2) | 0.009 (2) | 0.002 (2) |
| C78 | 0.035 (3) | 0.022 (3) | 0.031 (3) | 0.010 (2) | 0.015 (3) | 0.007 (2) |
| C79 | 0.040 (4) | 0.016 (3) | 0.029 (3) | −0.003 (2) | 0.023 (3) | −0.001 (2) |
| C80 | 0.027 (3) | 0.028 (3) | 0.029 (3) | −0.002 (2) | 0.015 (2) | −0.002 (2) |
| C81 | 0.033 (4) | 0.026 (3) | 0.026 (3) | 0.009 (2) | 0.016 (3) | 0.005 (2) |
| C82 | 0.018 (3) | 0.024 (3) | 0.016 (3) | 0.000 (2) | 0.007 (2) | −0.002 (2) |
| C83 | 0.017 (3) | 0.018 (3) | 0.023 (3) | −0.001 (2) | 0.006 (2) | −0.001 (2) |
| C84 | 0.025 (3) | 0.015 (3) | 0.028 (3) | 0.002 (2) | 0.013 (2) | 0.003 (2) |
| C85 | 0.019 (3) | 0.026 (3) | 0.022 (3) | 0.004 (2) | 0.009 (2) | 0.002 (2) |
| C86 | 0.017 (3) | 0.022 (3) | 0.025 (3) | −0.002 (2) | 0.006 (2) | 0.003 (2) |
| C87 | 0.020 (3) | 0.034 (3) | 0.023 (3) | −0.002 (2) | 0.005 (2) | 0.001 (2) |
| C88 | 0.028 (3) | 0.035 (4) | 0.026 (3) | 0.012 (2) | 0.009 (2) | 0.006 (2) |
| C89 | 0.036 (4) | 0.027 (3) | 0.032 (3) | 0.006 (3) | 0.015 (3) | 0.012 (2) |
| C90 | 0.021 (3) | 0.025 (3) | 0.022 (3) | −0.002 (2) | 0.005 (2) | 0.000 (2) |
| C91 | 0.013 (3) | 0.017 (3) | 0.025 (3) | −0.003 (2) | 0.006 (2) | 0.000 (2) |
| C92 | 0.014 (3) | 0.019 (3) | 0.029 (3) | −0.002 (2) | 0.006 (2) | −0.002 (2) |
| C93 | 0.025 (3) | 0.042 (4) | 0.023 (3) | 0.005 (3) | 0.007 (3) | 0.001 (3) |
| C94 | 0.030 (4) | 0.054 (4) | 0.024 (3) | 0.012 (3) | 0.007 (3) | 0.012 (3) |
| C95 | 0.025 (3) | 0.028 (3) | 0.037 (3) | 0.005 (2) | 0.001 (3) | 0.006 (2) |
| C96 | 0.020 (3) | 0.020 (3) | 0.043 (3) | 0.002 (2) | 0.011 (3) | −0.005 (3) |
| C97 | 0.021 (3) | 0.030 (3) | 0.025 (3) | 0.003 (2) | 0.007 (2) | 0.002 (2) |
| C98 | 0.030 (3) | 0.014 (2) | 0.024 (3) | −0.001 (2) | 0.005 (3) | 0.001 (2) |
| C99 | 0.014 (3) | 0.018 (3) | 0.026 (3) | 0.006 (2) | 0.002 (2) | 0.001 (2) |
| C100 | 0.022 (3) | 0.032 (3) | 0.025 (3) | 0.003 (2) | 0.002 (3) | −0.005 (2) |
| C101 | 0.030 (3) | 0.036 (3) | 0.038 (3) | 0.000 (3) | 0.000 (3) | −0.017 (3) |
| C102 | 0.025 (3) | 0.028 (4) | 0.061 (4) | −0.002 (2) | 0.009 (3) | −0.003 (3) |
| C103 | 0.018 (3) | 0.045 (4) | 0.045 (4) | −0.002 (3) | 0.009 (3) | 0.015 (3) |
| C104 | 0.029 (3) | 0.034 (3) | 0.023 (3) | 0.007 (3) | 0.006 (3) | −0.002 (2) |
| C105 | 0.023 (3) | 0.019 (3) | 0.021 (3) | 0.000 (2) | 0.013 (2) | −0.001 (2) |
| C106 | 0.022 (3) | 0.012 (2) | 0.022 (3) | −0.004 (2) | 0.009 (2) | −0.0031 (19) |
| C107 | 0.029 (3) | 0.013 (3) | 0.022 (3) | −0.001 (2) | 0.008 (2) | 0.002 (2) |
| C108 | 0.044 (4) | 0.014 (3) | 0.036 (3) | 0.002 (2) | 0.023 (3) | 0.004 (2) |
| C109 | 0.051 (4) | 0.028 (3) | 0.032 (3) | −0.016 (3) | 0.027 (3) | −0.014 (3) |
| C110 | 0.039 (4) | 0.038 (3) | 0.022 (3) | −0.013 (3) | 0.005 (3) | 0.002 (2) |
| C111 | 0.027 (3) | 0.028 (3) | 0.023 (3) | −0.002 (2) | 0.010 (3) | 0.002 (2) |
| C112 | 0.017 (3) | 0.012 (3) | 0.026 (3) | −0.0011 (19) | 0.008 (2) | −0.0026 (19) |
| C113 | 0.028 (3) | 0.012 (2) | 0.021 (3) | −0.001 (2) | 0.007 (2) | −0.002 (2) |
| C114 | 0.018 (3) | 0.010 (2) | 0.020 (2) | 0.0013 (19) | 0.003 (2) | −0.0011 (18) |
| C115 | 0.018 (3) | 0.023 (3) | 0.020 (3) | 0.002 (2) | 0.006 (2) | −0.001 (2) |
| C116 | 0.041 (4) | 0.023 (3) | 0.027 (3) | −0.004 (3) | 0.017 (3) | 0.000 (2) |
| C117 | 0.050 (4) | 0.030 (3) | 0.031 (3) | 0.001 (3) | 0.026 (3) | 0.001 (2) |
| C118 | 0.029 (3) | 0.030 (3) | 0.026 (3) | 0.000 (3) | 0.010 (3) | −0.009 (2) |
| C119 | 0.063 (5) | 0.016 (3) | 0.040 (4) | −0.005 (3) | 0.028 (3) | −0.003 (2) |
| C120 | 0.056 (4) | 0.022 (3) | 0.032 (3) | −0.003 (3) | 0.028 (3) | −0.002 (2) |
| Sn1—C8 | 2.139 (5) | C52—C53 | 1.480 (7) |
| Sn1—C1 | 2.145 (6) | C53—C54 | 1.314 (7) |
| Sn1—C15 | 2.154 (5) | C53—H53 | 0.9500 |
| Sn1—O1 | 2.165 (3) | C54—C55 | 1.469 (7) |
| Sn1—O2i | 2.352 (4) | C54—H54 | 0.9500 |
| Sn2—C45 | 2.142 (5) | C55—C60 | 1.387 (8) |
| Sn2—C38 | 2.153 (5) | C55—C56 | 1.397 (7) |
| Sn2—C31 | 2.153 (5) | C56—C57 | 1.404 (8) |
| Sn2—O3 | 2.177 (3) | C56—H56 | 0.9500 |
| Sn2—O4ii | 2.338 (3) | C57—C58 | 1.359 (9) |
| Sn3—C68 | 2.143 (5) | C57—H57 | 0.9500 |
| Sn3—O5 | 2.153 (3) | C58—C59 | 1.375 (9) |
| Sn3—C75 | 2.154 (5) | C58—H58 | 0.9500 |
| Sn3—C61 | 2.154 (5) | C59—C60 | 1.384 (8) |
| Sn3—O6iii | 2.403 (4) | C59—H59 | 0.9500 |
| Sn4—C105 | 2.149 (5) | C60—H60 | 0.9500 |
| Sn4—C98 | 2.151 (6) | C61—C62 | 1.498 (7) |
| Sn4—C91 | 2.159 (5) | C61—H61A | 0.9900 |
| Sn4—O7 | 2.174 (3) | C61—H61B | 0.9900 |
| Sn4—O8iv | 2.352 (4) | C62—C67 | 1.375 (7) |
| O1—C22 | 1.271 (6) | C62—C63 | 1.396 (7) |
| O2—C22 | 1.273 (6) | C63—C64 | 1.376 (7) |
| O2—Sn1v | 2.352 (4) | C63—H63 | 0.9500 |
| O3—C52 | 1.272 (6) | C64—C65 | 1.373 (8) |
| O4—C52 | 1.254 (6) | C64—H64 | 0.9500 |
| O4—Sn2vi | 2.338 (3) | C65—C66 | 1.388 (8) |
| O5—C82 | 1.283 (6) | C65—H65 | 0.9500 |
| O6—C82 | 1.240 (6) | C66—C67 | 1.376 (7) |
| O6—Sn3vii | 2.403 (4) | C66—H66 | 0.9500 |
| O7—C112 | 1.274 (6) | C67—H67 | 0.9500 |
| O8—C112 | 1.250 (6) | C68—C69 | 1.512 (7) |
| O8—Sn4viii | 2.352 (4) | C68—H68A | 0.9900 |
| C1—C2 | 1.509 (8) | C68—H68B | 0.9900 |
| C1—H1A | 0.9900 | C69—C74 | 1.386 (8) |
| C1—H1B | 0.9900 | C69—C70 | 1.390 (7) |
| C2—C7 | 1.381 (8) | C70—C71 | 1.380 (8) |
| C2—C3 | 1.404 (9) | C70—H70 | 0.9500 |
| C3—C4 | 1.385 (11) | C71—C72 | 1.375 (8) |
| C3—H3 | 0.9500 | C71—H71 | 0.9500 |
| C4—C5 | 1.369 (10) | C72—C73 | 1.380 (8) |
| C4—H4 | 0.9500 | C72—H72 | 0.9500 |
| C5—C6 | 1.340 (9) | C73—C74 | 1.400 (7) |
| C5—H5 | 0.9500 | C73—H73 | 0.9500 |
| C6—C7 | 1.386 (8) | C74—H74 | 0.9500 |
| C6—H6 | 0.9500 | C75—C76 | 1.502 (7) |
| C7—H7 | 0.9500 | C75—H75A | 0.9900 |
| C8—C9 | 1.497 (8) | C75—H75B | 0.9900 |
| C8—H8A | 0.9900 | C76—C81 | 1.396 (8) |
| C8—H8B | 0.9900 | C76—C77 | 1.400 (7) |
| C9—C14 | 1.383 (8) | C77—C78 | 1.399 (7) |
| C9—C10 | 1.398 (8) | C77—H77 | 0.9500 |
| C10—C11 | 1.369 (9) | C78—C79 | 1.367 (8) |
| C10—H10 | 0.9500 | C78—H78 | 0.9500 |
| C11—C12 | 1.382 (10) | C79—C80 | 1.380 (8) |
| C11—H11 | 0.9500 | C79—H79 | 0.9500 |
| C12—C13 | 1.398 (10) | C80—C81 | 1.383 (7) |
| C12—H12 | 0.9500 | C80—H80 | 0.9500 |
| C13—C14 | 1.375 (9) | C81—H81 | 0.9500 |
| C13—H13 | 0.9500 | C82—C83 | 1.483 (7) |
| C14—H14 | 0.9500 | C83—C84 | 1.344 (7) |
| C15—C16 | 1.511 (7) | C83—H83 | 0.9500 |
| C15—H15A | 0.9900 | C84—C85 | 1.454 (7) |
| C15—H15B | 0.9900 | C84—H84 | 0.9500 |
| C16—C21 | 1.378 (8) | C85—C86 | 1.392 (7) |
| C16—C17 | 1.391 (7) | C85—C90 | 1.417 (7) |
| C17—C18 | 1.374 (7) | C86—C87 | 1.383 (7) |
| C17—H17 | 0.9500 | C86—H86 | 0.9500 |
| C18—C19 | 1.360 (8) | C87—C88 | 1.383 (8) |
| C18—H18 | 0.9500 | C87—H87 | 0.9500 |
| C19—C20 | 1.371 (8) | C88—C89 | 1.399 (8) |
| C19—H19 | 0.9500 | C88—H88 | 0.9500 |
| C20—C21 | 1.393 (8) | C89—C90 | 1.374 (7) |
| C20—H20 | 0.9500 | C89—H89 | 0.9500 |
| C21—H21 | 0.9500 | C90—H90 | 0.9500 |
| C22—C23 | 1.462 (7) | C91—C92 | 1.483 (7) |
| C23—C24 | 1.338 (7) | C91—H91A | 0.9900 |
| C23—H23 | 0.9500 | C91—H91B | 0.9900 |
| C24—C25 | 1.468 (7) | C92—C93 | 1.369 (7) |
| C24—H24 | 0.9500 | C92—C97 | 1.399 (7) |
| C25—C30 | 1.388 (7) | C93—C94 | 1.374 (8) |
| C25—C26 | 1.401 (7) | C93—H93 | 0.9500 |
| C26—C27 | 1.376 (7) | C94—C95 | 1.376 (8) |
| C26—H26 | 0.9500 | C94—H94 | 0.9500 |
| C27—C28 | 1.375 (7) | C95—C96 | 1.382 (7) |
| C27—H27 | 0.9500 | C95—H95 | 0.9500 |
| C28—C29 | 1.371 (7) | C96—C97 | 1.392 (8) |
| C28—H28 | 0.9500 | C96—H96 | 0.9500 |
| C29—C30 | 1.376 (7) | C97—H97 | 0.9500 |
| C29—H29 | 0.9500 | C98—C99 | 1.505 (8) |
| C30—H30 | 0.9500 | C98—H98A | 0.9900 |
| C31—C32 | 1.495 (7) | C98—H98B | 0.9900 |
| C31—H31A | 0.9900 | C99—C104 | 1.388 (8) |
| C31—H31B | 0.9900 | C99—C100 | 1.396 (7) |
| C32—C37 | 1.385 (7) | C100—C101 | 1.391 (9) |
| C32—C33 | 1.400 (7) | C100—H100 | 0.9500 |
| C33—C34 | 1.369 (8) | C101—C102 | 1.371 (9) |
| C33—H33 | 0.9500 | C101—H101 | 0.9500 |
| C34—C35 | 1.385 (9) | C102—C103 | 1.361 (9) |
| C34—H34 | 0.9500 | C102—H102 | 0.9500 |
| C35—C36 | 1.384 (8) | C103—C104 | 1.391 (8) |
| C35—H35 | 0.9500 | C103—H103 | 0.9500 |
| C36—C37 | 1.383 (7) | C104—H104 | 0.9500 |
| C36—H36 | 0.9500 | C105—C106 | 1.506 (7) |
| C37—H37 | 0.9500 | C105—H10A | 0.9900 |
| C38—C39 | 1.491 (7) | C105—H10B | 0.9900 |
| C38—H38A | 0.9900 | C106—C111 | 1.392 (7) |
| C38—H38B | 0.9900 | C106—C107 | 1.393 (7) |
| C39—C44 | 1.385 (7) | C107—C108 | 1.387 (7) |
| C39—C40 | 1.387 (7) | C107—H107 | 0.9500 |
| C40—C41 | 1.385 (7) | C108—C109 | 1.388 (8) |
| C40—H40 | 0.9500 | C108—H108 | 0.9500 |
| C41—C42 | 1.371 (8) | C109—C110 | 1.372 (9) |
| C41—H41 | 0.9500 | C109—H109 | 0.9500 |
| C42—C43 | 1.368 (8) | C110—C111 | 1.380 (7) |
| C42—H42 | 0.9500 | C110—H110 | 0.9500 |
| C43—C44 | 1.388 (7) | C111—H111 | 0.9500 |
| C43—H43 | 0.9500 | C112—C113 | 1.475 (7) |
| C44—H44 | 0.9500 | C113—C114 | 1.327 (7) |
| C45—C46 | 1.507 (7) | C113—H113 | 0.9500 |
| C45—H45A | 0.9900 | C114—C115 | 1.465 (7) |
| C45—H45B | 0.9900 | C114—H114 | 0.9500 |
| C46—C51 | 1.391 (7) | C115—C116 | 1.388 (7) |
| C46—C47 | 1.397 (7) | C115—C120 | 1.391 (8) |
| C47—C48 | 1.379 (7) | C116—C117 | 1.391 (7) |
| C47—H47 | 0.9500 | C116—H116 | 0.9500 |
| C48—C49 | 1.373 (8) | C117—C118 | 1.375 (8) |
| C48—H48 | 0.9500 | C117—H117 | 0.9500 |
| C49—C50 | 1.377 (8) | C118—C119 | 1.378 (8) |
| C49—H49 | 0.9500 | C118—H118 | 0.9500 |
| C50—C51 | 1.381 (7) | C119—C120 | 1.394 (8) |
| C50—H50 | 0.9500 | C119—H119 | 0.9500 |
| C51—H51 | 0.9500 | C120—H120 | 0.9500 |
| C8—Sn1—C1 | 120.6 (2) | C54—C53—C52 | 122.7 (5) |
| C8—Sn1—C15 | 118.4 (2) | C54—C53—H53 | 118.6 |
| C1—Sn1—C15 | 119.9 (2) | C52—C53—H53 | 118.6 |
| C8—Sn1—O1 | 94.91 (17) | C53—C54—C55 | 128.9 (5) |
| C1—Sn1—O1 | 94.35 (18) | C53—C54—H54 | 115.6 |
| C15—Sn1—O1 | 90.95 (15) | C55—C54—H54 | 115.6 |
| C8—Sn1—O2i | 88.82 (17) | C60—C55—C56 | 118.2 (5) |
| C1—Sn1—O2i | 90.56 (17) | C60—C55—C54 | 119.6 (5) |
| C15—Sn1—O2i | 80.29 (17) | C56—C55—C54 | 122.2 (5) |
| O1—Sn1—O2i | 171.2 (1) | C55—C56—C57 | 119.7 (6) |
| C45—Sn2—C38 | 120.1 (2) | C55—C56—H56 | 120.2 |
| C45—Sn2—C31 | 118.6 (2) | C57—C56—H56 | 120.2 |
| C38—Sn2—C31 | 119.9 (2) | C58—C57—C56 | 120.5 (6) |
| C45—Sn2—O3 | 95.81 (17) | C58—C57—H57 | 119.8 |
| C38—Sn2—O3 | 95.27 (17) | C56—C57—H57 | 119.8 |
| C31—Sn2—O3 | 90.46 (15) | C57—C58—C59 | 120.6 (6) |
| C45—Sn2—O4ii | 89.23 (16) | C57—C58—H58 | 119.7 |
| C38—Sn2—O4ii | 90.00 (16) | C59—C58—H58 | 119.7 |
| C31—Sn2—O4ii | 79.16 (17) | C58—C59—C60 | 119.5 (6) |
| O3—Sn2—O4ii | 169.6 (1) | C58—C59—H59 | 120.3 |
| C68—Sn3—O5 | 97.63 (17) | C60—C59—H59 | 120.3 |
| C68—Sn3—C75 | 120.36 (19) | C59—C60—C55 | 121.5 (6) |
| O5—Sn3—C75 | 98.06 (17) | C59—C60—H60 | 119.3 |
| C68—Sn3—C61 | 119.5 (2) | C55—C60—H60 | 119.3 |
| O5—Sn3—C61 | 91.71 (16) | C62—C61—Sn3 | 119.3 (3) |
| C75—Sn3—C61 | 117.1 (2) | C62—C61—H61A | 107.5 |
| C68—Sn3—O6iii | 86.80 (17) | Sn3—C61—H61A | 107.5 |
| O5—Sn3—O6iii | 168.4 (1) | C62—C61—H61B | 107.5 |
| C75—Sn3—O6iii | 88.87 (16) | Sn3—C61—H61B | 107.5 |
| C61—Sn3—O6iii | 76.76 (16) | H61A—C61—H61B | 107.0 |
| C105—Sn4—C98 | 119.4 (2) | C67—C62—C63 | 117.8 (5) |
| C105—Sn4—C91 | 119.1 (2) | C67—C62—C61 | 121.2 (5) |
| C98—Sn4—C91 | 120.1 (2) | C63—C62—C61 | 121.0 (5) |
| C105—Sn4—O7 | 90.16 (15) | C64—C63—C62 | 121.6 (5) |
| C98—Sn4—O7 | 96.21 (17) | C64—C63—H63 | 119.2 |
| C91—Sn4—O7 | 95.52 (17) | C62—C63—H63 | 119.2 |
| C105—Sn4—O8iv | 79.21 (16) | C65—C64—C63 | 119.9 (5) |
| C98—Sn4—O8iv | 89.56 (17) | C65—C64—H64 | 120.1 |
| C91—Sn4—O8iv | 89.27 (16) | C63—C64—H64 | 120.1 |
| O7—Sn4—O8iv | 169.4 (1) | C64—C65—C66 | 119.0 (5) |
| C22—O1—Sn1 | 122.0 (3) | C64—C65—H65 | 120.5 |
| C22—O2—Sn1v | 141.0 (3) | C66—C65—H65 | 120.5 |
| C52—O3—Sn2 | 121.4 (3) | C67—C66—C65 | 120.9 (5) |
| C52—O4—Sn2vi | 143.3 (3) | C67—C66—H66 | 119.6 |
| C82—O5—Sn3 | 122.6 (3) | C65—C66—H66 | 119.6 |
| C82—O6—Sn3vii | 151.3 (3) | C62—C67—C66 | 120.8 (5) |
| C112—O7—Sn4 | 120.8 (3) | C62—C67—H67 | 119.6 |
| C112—O8—Sn4viii | 141.0 (3) | C66—C67—H67 | 119.6 |
| C2—C1—Sn1 | 113.0 (4) | C69—C68—Sn3 | 113.5 (3) |
| C2—C1—H1A | 109.0 | C69—C68—H68A | 108.9 |
| Sn1—C1—H1A | 109.0 | Sn3—C68—H68A | 108.9 |
| C2—C1—H1B | 109.0 | C69—C68—H68B | 108.9 |
| Sn1—C1—H1B | 109.0 | Sn3—C68—H68B | 108.9 |
| H1A—C1—H1B | 107.8 | H68A—C68—H68B | 107.7 |
| C7—C2—C3 | 117.2 (6) | C74—C69—C70 | 118.4 (5) |
| C7—C2—C1 | 122.3 (5) | C74—C69—C68 | 121.5 (5) |
| C3—C2—C1 | 120.5 (6) | C70—C69—C68 | 120.0 (5) |
| C4—C3—C2 | 119.7 (6) | C71—C70—C69 | 121.0 (6) |
| C4—C3—H3 | 120.1 | C71—C70—H70 | 119.5 |
| C2—C3—H3 | 120.1 | C69—C70—H70 | 119.5 |
| C5—C4—C3 | 121.5 (6) | C72—C71—C70 | 120.3 (5) |
| C5—C4—H4 | 119.2 | C72—C71—H71 | 119.9 |
| C3—C4—H4 | 119.2 | C70—C71—H71 | 119.9 |
| C6—C5—C4 | 118.9 (6) | C71—C72—C73 | 120.0 (5) |
| C6—C5—H5 | 120.5 | C71—C72—H72 | 120.0 |
| C4—C5—H5 | 120.5 | C73—C72—H72 | 120.0 |
| C5—C6—C7 | 121.3 (6) | C72—C73—C74 | 119.7 (6) |
| C5—C6—H6 | 119.3 | C72—C73—H73 | 120.2 |
| C7—C6—H6 | 119.3 | C74—C73—H73 | 120.2 |
| C2—C7—C6 | 121.2 (6) | C69—C74—C73 | 120.6 (5) |
| C2—C7—H7 | 119.4 | C69—C74—H74 | 119.7 |
| C6—C7—H7 | 119.4 | C73—C74—H74 | 119.7 |
| C9—C8—Sn1 | 114.3 (4) | C76—C75—Sn3 | 113.1 (3) |
| C9—C8—H8A | 108.7 | C76—C75—H75A | 109.0 |
| Sn1—C8—H8A | 108.7 | Sn3—C75—H75A | 109.0 |
| C9—C8—H8B | 108.7 | C76—C75—H75B | 109.0 |
| Sn1—C8—H8B | 108.7 | Sn3—C75—H75B | 109.0 |
| H8A—C8—H8B | 107.6 | H75A—C75—H75B | 107.8 |
| C14—C9—C10 | 117.5 (6) | C81—C76—C77 | 117.1 (5) |
| C14—C9—C8 | 121.7 (5) | C81—C76—C75 | 121.6 (5) |
| C10—C9—C8 | 120.8 (5) | C77—C76—C75 | 121.3 (5) |
| C11—C10—C9 | 121.4 (6) | C78—C77—C76 | 121.0 (5) |
| C11—C10—H10 | 119.3 | C78—C77—H77 | 119.5 |
| C9—C10—H10 | 119.3 | C76—C77—H77 | 119.5 |
| C10—C11—C12 | 119.9 (6) | C79—C78—C77 | 119.6 (5) |
| C10—C11—H11 | 120.1 | C79—C78—H78 | 120.2 |
| C12—C11—H11 | 120.1 | C77—C78—H78 | 120.2 |
| C11—C12—C13 | 120.2 (6) | C78—C79—C80 | 121.2 (5) |
| C11—C12—H12 | 119.9 | C78—C79—H79 | 119.4 |
| C13—C12—H12 | 119.9 | C80—C79—H79 | 119.4 |
| C14—C13—C12 | 118.6 (6) | C79—C80—C81 | 118.9 (6) |
| C14—C13—H13 | 120.7 | C79—C80—H80 | 120.6 |
| C12—C13—H13 | 120.7 | C81—C80—H80 | 120.6 |
| C13—C14—C9 | 122.4 (6) | C80—C81—C76 | 122.2 (5) |
| C13—C14—H14 | 118.8 | C80—C81—H81 | 118.9 |
| C9—C14—H14 | 118.8 | C76—C81—H81 | 118.9 |
| C16—C15—Sn1 | 119.7 (4) | O6—C82—O5 | 123.2 (5) |
| C16—C15—H15A | 107.4 | O6—C82—C83 | 120.5 (5) |
| Sn1—C15—H15A | 107.4 | O5—C82—C83 | 116.3 (4) |
| C16—C15—H15B | 107.4 | C84—C83—C82 | 122.2 (5) |
| Sn1—C15—H15B | 107.4 | C84—C83—H83 | 118.9 |
| H15A—C15—H15B | 106.9 | C82—C83—H83 | 118.9 |
| C21—C16—C17 | 117.3 (5) | C83—C84—C85 | 128.7 (5) |
| C21—C16—C15 | 121.3 (5) | C83—C84—H84 | 115.6 |
| C17—C16—C15 | 121.4 (5) | C85—C84—H84 | 115.6 |
| C18—C17—C16 | 121.0 (5) | C86—C85—C90 | 117.9 (5) |
| C18—C17—H17 | 119.5 | C86—C85—C84 | 118.0 (5) |
| C16—C17—H17 | 119.5 | C90—C85—C84 | 124.0 (5) |
| C19—C18—C17 | 121.4 (5) | C87—C86—C85 | 121.9 (5) |
| C19—C18—H18 | 119.3 | C87—C86—H86 | 119.0 |
| C17—C18—H18 | 119.3 | C85—C86—H86 | 119.0 |
| C18—C19—C20 | 118.9 (5) | C86—C87—C88 | 119.2 (5) |
| C18—C19—H19 | 120.6 | C86—C87—H87 | 120.4 |
| C20—C19—H19 | 120.6 | C88—C87—H87 | 120.4 |
| C19—C20—C21 | 120.3 (6) | C87—C88—C89 | 120.3 (5) |
| C19—C20—H20 | 119.8 | C87—C88—H88 | 119.8 |
| C21—C20—H20 | 119.8 | C89—C88—H88 | 119.8 |
| C16—C21—C20 | 121.2 (5) | C90—C89—C88 | 120.2 (5) |
| C16—C21—H21 | 119.4 | C90—C89—H89 | 119.9 |
| C20—C21—H21 | 119.4 | C88—C89—H89 | 119.9 |
| O2—C22—O1 | 121.8 (5) | C89—C90—C85 | 120.4 (5) |
| O2—C22—C23 | 120.9 (5) | C89—C90—H90 | 119.8 |
| O1—C22—C23 | 117.3 (5) | C85—C90—H90 | 119.8 |
| C24—C23—C22 | 122.0 (5) | C92—C91—Sn4 | 111.6 (3) |
| C24—C23—H23 | 119.0 | C92—C91—H91A | 109.3 |
| C22—C23—H23 | 119.0 | Sn4—C91—H91A | 109.3 |
| C23—C24—C25 | 127.1 (5) | C92—C91—H91B | 109.3 |
| C23—C24—H24 | 116.5 | Sn4—C91—H91B | 109.3 |
| C25—C24—H24 | 116.5 | H91A—C91—H91B | 108.0 |
| C30—C25—C26 | 117.3 (5) | C93—C92—C97 | 117.7 (5) |
| C30—C25—C24 | 123.3 (5) | C93—C92—C91 | 120.8 (5) |
| C26—C25—C24 | 119.4 (4) | C97—C92—C91 | 121.4 (5) |
| C27—C26—C25 | 121.3 (5) | C92—C93—C94 | 122.2 (6) |
| C27—C26—H26 | 119.3 | C92—C93—H93 | 118.9 |
| C25—C26—H26 | 119.3 | C94—C93—H93 | 118.9 |
| C28—C27—C26 | 119.6 (5) | C93—C94—C95 | 120.0 (5) |
| C28—C27—H27 | 120.2 | C93—C94—H94 | 120.0 |
| C26—C27—H27 | 120.2 | C95—C94—H94 | 120.0 |
| C29—C28—C27 | 120.3 (5) | C94—C95—C96 | 119.7 (5) |
| C29—C28—H28 | 119.9 | C94—C95—H95 | 120.1 |
| C27—C28—H28 | 119.9 | C96—C95—H95 | 120.1 |
| C28—C29—C30 | 120.1 (5) | C95—C96—C97 | 119.6 (5) |
| C28—C29—H29 | 120.0 | C95—C96—H96 | 120.2 |
| C30—C29—H29 | 120.0 | C97—C96—H96 | 120.2 |
| C29—C30—C25 | 121.3 (5) | C96—C97—C92 | 120.8 (5) |
| C29—C30—H30 | 119.3 | C96—C97—H97 | 119.6 |
| C25—C30—H30 | 119.3 | C92—C97—H97 | 119.6 |
| C32—C31—Sn2 | 117.1 (3) | C99—C98—Sn4 | 113.4 (3) |
| C32—C31—H31A | 108.0 | C99—C98—H98A | 108.9 |
| Sn2—C31—H31A | 108.0 | Sn4—C98—H98A | 108.9 |
| C32—C31—H31B | 108.0 | C99—C98—H98B | 108.9 |
| Sn2—C31—H31B | 108.0 | Sn4—C98—H98B | 108.9 |
| H31A—C31—H31B | 107.3 | H98A—C98—H98B | 107.7 |
| C37—C32—C33 | 116.3 (5) | C104—C99—C100 | 118.2 (5) |
| C37—C32—C31 | 121.9 (5) | C104—C99—C98 | 120.2 (5) |
| C33—C32—C31 | 121.8 (5) | C100—C99—C98 | 121.6 (5) |
| C34—C33—C32 | 121.9 (5) | C101—C100—C99 | 119.6 (6) |
| C34—C33—H33 | 119.0 | C101—C100—H100 | 120.2 |
| C32—C33—H33 | 119.0 | C99—C100—H100 | 120.2 |
| C33—C34—C35 | 120.4 (5) | C102—C101—C100 | 121.5 (6) |
| C33—C34—H34 | 119.8 | C102—C101—H101 | 119.3 |
| C35—C34—H34 | 119.8 | C100—C101—H101 | 119.3 |
| C34—C35—C36 | 119.2 (5) | C103—C102—C101 | 119.0 (6) |
| C34—C35—H35 | 120.4 | C103—C102—H102 | 120.5 |
| C36—C35—H35 | 120.4 | C101—C102—H102 | 120.5 |
| C37—C36—C35 | 119.5 (5) | C102—C103—C104 | 120.9 (6) |
| C37—C36—H36 | 120.3 | C102—C103—H103 | 119.5 |
| C35—C36—H36 | 120.3 | C104—C103—H103 | 119.5 |
| C36—C37—C32 | 122.6 (5) | C99—C104—C103 | 120.7 (5) |
| C36—C37—H37 | 118.7 | C99—C104—H104 | 119.7 |
| C32—C37—H37 | 118.7 | C103—C104—H104 | 119.7 |
| C39—C38—Sn2 | 114.5 (3) | C106—C105—Sn4 | 118.8 (3) |
| C39—C38—H38A | 108.6 | C106—C105—H10A | 107.6 |
| Sn2—C38—H38A | 108.6 | Sn4—C105—H10A | 107.6 |
| C39—C38—H38B | 108.6 | C106—C105—H10B | 107.6 |
| Sn2—C38—H38B | 108.6 | Sn4—C105—H10B | 107.6 |
| H38A—C38—H38B | 107.6 | H10A—C105—H10B | 107.1 |
| C44—C39—C40 | 116.8 (5) | C111—C106—C107 | 117.1 (5) |
| C44—C39—C38 | 122.8 (5) | C111—C106—C105 | 121.5 (5) |
| C40—C39—C38 | 120.4 (4) | C107—C106—C105 | 121.4 (5) |
| C41—C40—C39 | 121.7 (5) | C108—C107—C106 | 122.0 (5) |
| C41—C40—H40 | 119.1 | C108—C107—H107 | 119.0 |
| C39—C40—H40 | 119.1 | C106—C107—H107 | 119.0 |
| C42—C41—C40 | 120.2 (5) | C107—C108—C109 | 118.9 (5) |
| C42—C41—H41 | 119.9 | C107—C108—H108 | 120.5 |
| C40—C41—H41 | 119.9 | C109—C108—H108 | 120.5 |
| C43—C42—C41 | 119.4 (5) | C110—C109—C108 | 120.4 (5) |
| C43—C42—H42 | 120.3 | C110—C109—H109 | 119.8 |
| C41—C42—H42 | 120.3 | C108—C109—H109 | 119.8 |
| C42—C43—C44 | 120.2 (5) | C109—C110—C111 | 119.9 (6) |
| C42—C43—H43 | 119.9 | C109—C110—H110 | 120.1 |
| C44—C43—H43 | 119.9 | C111—C110—H110 | 120.1 |
| C39—C44—C43 | 121.6 (5) | C110—C111—C106 | 121.8 (6) |
| C39—C44—H44 | 119.2 | C110—C111—H111 | 119.1 |
| C43—C44—H44 | 119.2 | C106—C111—H111 | 119.1 |
| C46—C45—Sn2 | 113.8 (3) | O8—C112—O7 | 122.3 (4) |
| C46—C45—H45A | 108.8 | O8—C112—C113 | 121.3 (5) |
| Sn2—C45—H45A | 108.8 | O7—C112—C113 | 116.4 (4) |
| C46—C45—H45B | 108.8 | C114—C113—C112 | 122.5 (5) |
| Sn2—C45—H45B | 108.8 | C114—C113—H113 | 118.8 |
| H45A—C45—H45B | 107.7 | C112—C113—H113 | 118.8 |
| C51—C46—C47 | 117.3 (5) | C113—C114—C115 | 127.6 (5) |
| C51—C46—C45 | 122.1 (5) | C113—C114—H114 | 116.2 |
| C47—C46—C45 | 120.5 (5) | C115—C114—H114 | 116.2 |
| C48—C47—C46 | 121.0 (5) | C116—C115—C120 | 117.8 (5) |
| C48—C47—H47 | 119.5 | C116—C115—C114 | 120.2 (5) |
| C46—C47—H47 | 119.5 | C120—C115—C114 | 122.0 (5) |
| C49—C48—C47 | 120.9 (6) | C115—C116—C117 | 121.2 (5) |
| C49—C48—H48 | 119.5 | C115—C116—H116 | 119.4 |
| C47—C48—H48 | 119.5 | C117—C116—H116 | 119.4 |
| C48—C49—C50 | 119.0 (5) | C118—C117—C116 | 120.1 (5) |
| C48—C49—H49 | 120.5 | C118—C117—H117 | 120.0 |
| C50—C49—H49 | 120.5 | C116—C117—H117 | 120.0 |
| C49—C50—C51 | 120.6 (5) | C117—C118—C119 | 120.0 (5) |
| C49—C50—H50 | 119.7 | C117—C118—H118 | 120.0 |
| C51—C50—H50 | 119.7 | C119—C118—H118 | 120.0 |
| C50—C51—C46 | 121.2 (5) | C118—C119—C120 | 119.7 (5) |
| C50—C51—H51 | 119.4 | C118—C119—H119 | 120.1 |
| C46—C51—H51 | 119.4 | C120—C119—H119 | 120.1 |
| O4—C52—O3 | 122.8 (5) | C115—C120—C119 | 121.2 (5) |
| O4—C52—C53 | 120.8 (5) | C115—C120—H120 | 119.4 |
| O3—C52—C53 | 116.4 (4) | C119—C120—H120 | 119.4 |
| C8—Sn1—O1—C22 | −57.0 (4) | C55—C56—C57—C58 | −0.1 (8) |
| C1—Sn1—O1—C22 | 64.3 (4) | C56—C57—C58—C59 | 0.5 (9) |
| C15—Sn1—O1—C22 | −175.6 (4) | C57—C58—C59—C60 | −1.3 (9) |
| C45—Sn2—O3—C52 | −60.5 (4) | C58—C59—C60—C55 | 1.6 (9) |
| C38—Sn2—O3—C52 | 60.6 (4) | C56—C55—C60—C59 | −1.2 (8) |
| C31—Sn2—O3—C52 | −179.3 (4) | C54—C55—C60—C59 | 178.5 (5) |
| C68—Sn3—O5—C82 | 56.0 (4) | C68—Sn3—C61—C62 | 92.7 (5) |
| C75—Sn3—O5—C82 | −66.3 (4) | O5—Sn3—C61—C62 | −7.0 (4) |
| C61—Sn3—O5—C82 | 176.1 (4) | C75—Sn3—C61—C62 | −107.0 (4) |
| O6iii—Sn3—O5—C82 | 167.8 (6) | O6iii—Sn3—C61—C62 | 171.3 (5) |
| C105—Sn4—O7—C112 | 177.4 (4) | Sn3—C61—C62—C67 | −103.0 (5) |
| C98—Sn4—O7—C112 | 57.7 (4) | Sn3—C61—C62—C63 | 77.6 (6) |
| C91—Sn4—O7—C112 | −63.4 (4) | C67—C62—C63—C64 | −0.2 (8) |
| C8—Sn1—C1—C2 | −141.8 (4) | C61—C62—C63—C64 | 179.2 (5) |
| C15—Sn1—C1—C2 | 26.3 (5) | C62—C63—C64—C65 | 0.7 (8) |
| O1—Sn1—C1—C2 | 119.9 (4) | C63—C64—C65—C66 | −1.6 (8) |
| O2i—Sn1—C1—C2 | −52.8 (4) | C64—C65—C66—C67 | 2.0 (9) |
| Sn1—C1—C2—C7 | 110.4 (5) | C63—C62—C67—C66 | 0.5 (8) |
| Sn1—C1—C2—C3 | −67.2 (6) | C61—C62—C67—C66 | −178.8 (5) |
| C7—C2—C3—C4 | −1.3 (9) | C65—C66—C67—C62 | −1.5 (9) |
| C1—C2—C3—C4 | 176.4 (6) | O5—Sn3—C68—C69 | 104.2 (4) |
| C2—C3—C4—C5 | 2.6 (11) | C75—Sn3—C68—C69 | −151.7 (3) |
| C3—C4—C5—C6 | −1.1 (11) | C61—Sn3—C68—C69 | 7.9 (4) |
| C4—C5—C6—C7 | −1.7 (10) | O6iii—Sn3—C68—C69 | −64.9 (4) |
| C3—C2—C7—C6 | −1.5 (9) | Sn3—C68—C69—C74 | 115.9 (5) |
| C1—C2—C7—C6 | −179.2 (5) | Sn3—C68—C69—C70 | −66.9 (5) |
| C5—C6—C7—C2 | 3.1 (10) | C74—C69—C70—C71 | 1.5 (8) |
| C1—Sn1—C8—C9 | 147.6 (4) | C68—C69—C70—C71 | −175.8 (5) |
| C15—Sn1—C8—C9 | −20.7 (5) | C69—C70—C71—C72 | −1.2 (9) |
| O1—Sn1—C8—C9 | −114.4 (4) | C70—C71—C72—C73 | 0.5 (9) |
| O2i—Sn1—C8—C9 | 57.6 (4) | C71—C72—C73—C74 | −0.1 (9) |
| Sn1—C8—C9—C14 | −112.0 (5) | C70—C69—C74—C73 | −1.1 (8) |
| Sn1—C8—C9—C10 | 69.1 (6) | C68—C69—C74—C73 | 176.1 (5) |
| C14—C9—C10—C11 | −0.1 (9) | C72—C73—C74—C69 | 0.5 (9) |
| C8—C9—C10—C11 | 178.8 (5) | C68—Sn3—C75—C76 | 139.7 (4) |
| C9—C10—C11—C12 | −0.5 (9) | O5—Sn3—C75—C76 | −116.5 (4) |
| C10—C11—C12—C13 | 0.9 (10) | C61—Sn3—C75—C76 | −20.4 (5) |
| C11—C12—C13—C14 | −0.5 (11) | O6iii—Sn3—C75—C76 | 54.1 (4) |
| C12—C13—C14—C9 | −0.2 (11) | Sn3—C75—C76—C81 | 69.9 (6) |
| C10—C9—C14—C13 | 0.5 (10) | Sn3—C75—C76—C77 | −108.4 (5) |
| C8—C9—C14—C13 | −178.4 (6) | C81—C76—C77—C78 | −0.8 (7) |
| C8—Sn1—C15—C16 | −112.9 (4) | C75—C76—C77—C78 | 177.6 (5) |
| C1—Sn1—C15—C16 | 78.8 (5) | C76—C77—C78—C79 | −1.0 (8) |
| O1—Sn1—C15—C16 | −16.8 (4) | C77—C78—C79—C80 | 2.6 (8) |
| O2i—Sn1—C15—C16 | 163.8 (5) | C78—C79—C80—C81 | −2.4 (8) |
| Sn1—C15—C16—C21 | −103.6 (5) | C79—C80—C81—C76 | 0.5 (8) |
| Sn1—C15—C16—C17 | 76.8 (6) | C77—C76—C81—C80 | 1.1 (8) |
| C21—C16—C17—C18 | −0.8 (8) | C75—C76—C81—C80 | −177.3 (5) |
| C15—C16—C17—C18 | 178.8 (5) | Sn3vii—O6—C82—O5 | 176.3 (4) |
| C16—C17—C18—C19 | 2.0 (8) | Sn3vii—O6—C82—C83 | −2.7 (10) |
| C17—C18—C19—C20 | −2.2 (8) | Sn3—O5—C82—O6 | 2.5 (7) |
| C18—C19—C20—C21 | 1.4 (9) | Sn3—O5—C82—C83 | −178.5 (3) |
| C17—C16—C21—C20 | 0.0 (8) | O6—C82—C83—C84 | 179.6 (5) |
| C15—C16—C21—C20 | −179.6 (5) | O5—C82—C83—C84 | 0.6 (8) |
| C19—C20—C21—C16 | −0.3 (9) | C82—C83—C84—C85 | −179.7 (5) |
| Sn1v—O2—C22—O1 | −177.8 (4) | C83—C84—C85—C86 | 166.8 (5) |
| Sn1v—O2—C22—C23 | 1.7 (9) | C83—C84—C85—C90 | −11.2 (9) |
| Sn1—O1—C22—O2 | −2.3 (7) | C90—C85—C86—C87 | 1.2 (8) |
| Sn1—O1—C22—C23 | 178.2 (4) | C84—C85—C86—C87 | −176.9 (5) |
| O2—C22—C23—C24 | −177.4 (5) | C85—C86—C87—C88 | −1.8 (8) |
| O1—C22—C23—C24 | 2.1 (8) | C86—C87—C88—C89 | 0.3 (8) |
| C22—C23—C24—C25 | 178.9 (5) | C87—C88—C89—C90 | 1.7 (8) |
| C23—C24—C25—C30 | 8.2 (9) | C88—C89—C90—C85 | −2.3 (8) |
| C23—C24—C25—C26 | −171.8 (5) | C86—C85—C90—C89 | 0.8 (8) |
| C30—C25—C26—C27 | 0.8 (9) | C84—C85—C90—C89 | 178.8 (5) |
| C24—C25—C26—C27 | −179.2 (5) | C105—Sn4—C91—C92 | −13.6 (4) |
| C25—C26—C27—C28 | 0.0 (9) | C98—Sn4—C91—C92 | 152.7 (3) |
| C26—C27—C28—C29 | −0.9 (9) | O7—Sn4—C91—C92 | −106.8 (4) |
| C27—C28—C29—C30 | 0.9 (9) | O8iv—Sn4—C91—C92 | 63.6 (4) |
| C28—C29—C30—C25 | 0.0 (9) | Sn4—C91—C92—C93 | 68.4 (6) |
| C26—C25—C30—C29 | −0.8 (9) | Sn4—C91—C92—C97 | −109.9 (5) |
| C24—C25—C30—C29 | 179.2 (5) | C97—C92—C93—C94 | 0.7 (9) |
| C45—Sn2—C31—C32 | −103.1 (4) | C91—C92—C93—C94 | −177.6 (6) |
| C38—Sn2—C31—C32 | 90.1 (5) | C92—C93—C94—C95 | 0.5 (10) |
| O3—Sn2—C31—C32 | −6.3 (4) | C93—C94—C95—C96 | −1.6 (10) |
| O4ii—Sn2—C31—C32 | 173.8 (4) | C94—C95—C96—C97 | 1.5 (9) |
| Sn2—C31—C32—C37 | −90.5 (5) | C95—C96—C97—C92 | −0.4 (9) |
| Sn2—C31—C32—C33 | 87.8 (6) | C93—C92—C97—C96 | −0.7 (8) |
| C37—C32—C33—C34 | 1.6 (8) | C91—C92—C97—C96 | 177.6 (5) |
| C31—C32—C33—C34 | −176.8 (5) | C105—Sn4—C98—C99 | 23.6 (5) |
| C32—C33—C34—C35 | −1.6 (9) | C91—Sn4—C98—C99 | −142.7 (4) |
| C33—C34—C35—C36 | 0.3 (9) | O7—Sn4—C98—C99 | 117.3 (4) |
| C34—C35—C36—C37 | 1.0 (8) | O8iv—Sn4—C98—C99 | −53.7 (4) |
| C35—C36—C37—C32 | −1.0 (8) | Sn4—C98—C99—C104 | −69.2 (6) |
| C33—C32—C37—C36 | −0.3 (7) | Sn4—C98—C99—C100 | 110.2 (5) |
| C31—C32—C37—C36 | 178.1 (5) | C104—C99—C100—C101 | −0.4 (8) |
| C45—Sn2—C38—C39 | −137.4 (4) | C98—C99—C100—C101 | −179.9 (5) |
| C31—Sn2—C38—C39 | 29.1 (5) | C99—C100—C101—C102 | 2.1 (10) |
| O3—Sn2—C38—C39 | 122.7 (4) | C100—C101—C102—C103 | −3.1 (10) |
| O4ii—Sn2—C38—C39 | −48.3 (4) | C101—C102—C103—C104 | 2.5 (9) |
| Sn2—C38—C39—C44 | 110.5 (5) | C100—C99—C104—C103 | −0.1 (8) |
| Sn2—C38—C39—C40 | −69.8 (6) | C98—C99—C104—C103 | 179.3 (5) |
| C44—C39—C40—C41 | −2.0 (7) | C102—C103—C104—C99 | −0.9 (9) |
| C38—C39—C40—C41 | 178.3 (5) | C98—Sn4—C105—C106 | 103.1 (4) |
| C39—C40—C41—C42 | 1.6 (8) | C91—Sn4—C105—C106 | −90.5 (4) |
| C40—C41—C42—C43 | −0.3 (8) | O7—Sn4—C105—C106 | 5.9 (4) |
| C41—C42—C43—C44 | −0.4 (8) | O8iv—Sn4—C105—C106 | −173.6 (4) |
| C40—C39—C44—C43 | 1.2 (7) | Sn4—C105—C106—C111 | 101.6 (5) |
| C38—C39—C44—C43 | −179.1 (5) | Sn4—C105—C106—C107 | −78.2 (6) |
| C42—C43—C44—C39 | −0.1 (8) | C111—C106—C107—C108 | 0.2 (7) |
| C38—Sn2—C45—C46 | 153.9 (3) | C105—C106—C107—C108 | −179.9 (5) |
| C31—Sn2—C45—C46 | −12.8 (4) | C106—C107—C108—C109 | −1.0 (8) |
| O3—Sn2—C45—C46 | −106.6 (4) | C107—C108—C109—C110 | 0.8 (8) |
| O4ii—Sn2—C45—C46 | 64.4 (4) | C108—C109—C110—C111 | 0.2 (9) |
| Sn2—C45—C46—C51 | −109.2 (5) | C109—C110—C111—C106 | −1.0 (8) |
| Sn2—C45—C46—C47 | 73.5 (5) | C107—C106—C111—C110 | 0.8 (8) |
| C51—C46—C47—C48 | −0.3 (8) | C105—C106—C111—C110 | −179.1 (5) |
| C45—C46—C47—C48 | 177.1 (5) | Sn4viii—O8—C112—O7 | 178.0 (3) |
| C46—C47—C48—C49 | −0.9 (9) | Sn4viii—O8—C112—C113 | −2.8 (8) |
| C47—C48—C49—C50 | 1.9 (9) | Sn4—O7—C112—O8 | 2.1 (7) |
| C48—C49—C50—C51 | −1.7 (9) | Sn4—O7—C112—C113 | −177.1 (3) |
| C49—C50—C51—C46 | 0.5 (9) | O8—C112—C113—C114 | −178.3 (5) |
| C47—C46—C51—C50 | 0.5 (8) | O7—C112—C113—C114 | 0.9 (8) |
| C45—C46—C51—C50 | −176.9 (5) | C112—C113—C114—C115 | 177.3 (5) |
| Sn2vi—O4—C52—O3 | −180.0 (3) | C113—C114—C115—C116 | −171.6 (6) |
| Sn2vi—O4—C52—C53 | 0.3 (8) | C113—C114—C115—C120 | 6.2 (9) |
| Sn2—O3—C52—O4 | 2.2 (6) | C120—C115—C116—C117 | −1.3 (9) |
| Sn2—O3—C52—C53 | −178.1 (3) | C114—C115—C116—C117 | 176.7 (5) |
| O4—C52—C53—C54 | −170.9 (5) | C115—C116—C117—C118 | 1.0 (9) |
| O3—C52—C53—C54 | 9.3 (7) | C116—C117—C118—C119 | −0.5 (9) |
| C52—C53—C54—C55 | 179.2 (5) | C117—C118—C119—C120 | 0.2 (10) |
| C53—C54—C55—C60 | −169.4 (5) | C116—C115—C120—C119 | 1.0 (10) |
| C53—C54—C55—C56 | 10.3 (9) | C114—C115—C120—C119 | −176.9 (6) |
| C60—C55—C56—C57 | 0.4 (8) | C118—C119—C120—C115 | −0.5 (10) |
| C54—C55—C56—C57 | −179.2 (5) |
| Sn1—O1 | 2.165 (3) |
| Sn1—O2i | 2.352 (4) |
| Sn2—O3 | 2.177 (3) |
| Sn2—O4ii | 2.338 (3) |
| Sn3—O5 | 2.153 (3) |
| Sn3—O6iii | 2.403 (4) |
| Sn4—O7 | 2.174 (3) |
| Sn4—O8iv | 2.352 (4) |
| O1—Sn1—O2i | 171.2 (1) |
| O3—Sn2—O4ii | 169.6 (1) |
| O5—Sn3—O6iii | 168.4 (1) |
| O7—Sn4—O8iv | 169.4 (1) |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .