Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803024310/cf6294sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803024310/cf6294Isup2.hkl |
Data collection: COLLECT (Nonius, 1998); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: HKL DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXTL (Bruker, 2001); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
(H3O)3[PW12O40]·6C14H20O5·CH4O·H2O | F(000) = 8592 |
Mr = 4594.10 | Dx = 2.519 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 118671 reflections |
a = 16.890 (3) Å | θ = 1.0–25.0° |
b = 42.101 (8) Å | µ = 11.46 mm−1 |
c = 17.393 (4) Å | T = 180 K |
β = 101.66 (3)° | Block, orange |
V = 12112 (4) Å3 | 0.12 × 0.10 × 0.05 mm |
Z = 4 |
Nonius KappaCCD diffractometer | 16507 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.052 |
Thin–slice ω and φ scans | θmax = 25.0°, θmin = 3.5° |
Absorption correction: multi-scan (Sortav; Blessing, 1995) | h = −20→20 |
Tmin = 0.269, Tmax = 0.559 | k = −49→50 |
71608 measured reflections | l = −20→20 |
20465 independent reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full with fixed elements per cycle | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.039 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.083 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0246P)2 + 121.8552P] where P = (Fo2 + 2Fc2)/3 |
20465 reflections | (Δ/σ)max = 0.001 |
1449 parameters | Δρmax = 1.82 e Å−3 |
6 restraints | Δρmin = −1.25 e Å−3 |
Experimental. All atoms directly located from difference Fourier maps. H-atoms have been placed in calculated positions using HFIX 43 (for aromatic C—H atoms), HFIX 23 for –CH2-, HFIX 147 for –OH and HFIX 33 for –CH3. Four crystallization water molecules could be directly found from difference Fourier maps, but the attached H-atoms are missing. Since three of these molecules must be protonated (H3O+) in order to compensate the crystal charge, and the number of possible hydrogen bonds to neighbouring crown ethers is large, no attempt was made to place these H-atoms in calculated positions. Several C-atoms from the organic molecules were found to be affected by thermal disorder. Anisotropic treatment gave large tensors in more than one direction. Thus, these atoms have been modelled with independent isotropic displacement parameters. Atoms: C21 C22 C23 C24 C25 C26 C27 C28 C35 C36 C36 C38 C39 C40 C41 C43 C13 C51 C52 |
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 | ||
W1 | 0.47452 (2) | 0.132366 (9) | 0.12882 (2) | 0.02531 (9) | |
W2 | 0.63057 (2) | 0.119988 (9) | 0.01037 (2) | 0.02496 (9) | |
W3 | 0.57495 (2) | 0.054338 (9) | 0.13060 (2) | 0.02393 (9) | |
W4 | 0.57888 (2) | 0.195853 (9) | 0.22356 (2) | 0.02622 (9) | |
W5 | 0.73161 (2) | 0.184586 (9) | 0.10106 (2) | 0.02532 (9) | |
W6 | 0.82947 (2) | 0.113440 (9) | 0.10174 (2) | 0.02641 (9) | |
W7 | 0.77480 (2) | 0.046436 (9) | 0.21859 (2) | 0.02652 (9) | |
W8 | 0.63156 (2) | 0.056312 (9) | 0.33100 (2) | 0.02550 (9) | |
W9 | 0.52729 (2) | 0.133505 (9) | 0.33047 (2) | 0.02446 (9) | |
W10 | 0.79481 (2) | 0.187333 (9) | 0.31713 (2) | 0.02589 (9) | |
W11 | 0.88796 (2) | 0.114996 (9) | 0.31807 (2) | 0.02710 (9) | |
W12 | 0.74225 (2) | 0.126188 (9) | 0.42732 (2) | 0.02613 (9) | |
P1 | 0.68156 (13) | 0.12204 (5) | 0.21982 (13) | 0.0206 (5) | |
O1 | 0.6013 (3) | 0.13878 (14) | 0.2240 (3) | 0.0243 (13) | |
O2 | 0.7071 (3) | 0.13120 (14) | 0.1425 (3) | 0.0250 (14) | |
O3 | 0.7466 (3) | 0.13295 (14) | 0.2888 (3) | 0.0244 (14) | |
O4 | 0.6706 (3) | 0.08636 (14) | 0.2233 (3) | 0.0264 (14) | |
O5 | 0.3794 (3) | 0.13184 (16) | 0.0733 (4) | 0.0337 (16) | |
O6 | 0.5899 (4) | 0.11536 (15) | −0.0858 (4) | 0.0338 (16) | |
O7 | 0.5149 (4) | 0.02755 (15) | 0.0745 (4) | 0.0336 (16) | |
O8 | 0.5396 (3) | 0.13470 (14) | 0.0527 (3) | 0.0284 (14) | |
O9 | 0.6108 (4) | 0.08028 (14) | 0.0544 (3) | 0.0284 (14) | |
O10 | 0.5028 (3) | 0.08846 (14) | 0.1378 (3) | 0.0277 (14) | |
O11 | 0.6659 (4) | 0.16380 (15) | 0.0136 (3) | 0.0283 (14) | |
O12 | 0.7403 (4) | 0.10852 (14) | 0.0136 (3) | 0.0280 (14) | |
O13 | 0.6784 (4) | 0.03371 (15) | 0.1475 (3) | 0.0305 (15) | |
O14 | 0.5674 (3) | 0.04122 (14) | 0.2334 (3) | 0.0263 (14) | |
O15 | 0.4525 (3) | 0.12916 (14) | 0.2337 (3) | 0.0279 (14) | |
O16 | 0.4910 (4) | 0.17678 (15) | 0.1500 (3) | 0.0297 (15) | |
O17 | 0.6385 (4) | 0.19494 (14) | 0.1404 (3) | 0.0287 (14) | |
O18 | 0.7533 (4) | 0.21918 (16) | 0.0599 (4) | 0.0356 (16) | |
O19 | 0.8188 (4) | 0.15809 (15) | 0.0833 (4) | 0.0311 (15) | |
O20 | 0.9089 (4) | 0.10428 (15) | 0.0609 (3) | 0.0307 (15) | |
O21 | 0.7994 (4) | 0.07313 (14) | 0.1382 (3) | 0.0289 (14) | |
O22 | 0.8354 (4) | 0.01428 (15) | 0.2159 (4) | 0.0370 (17) | |
O23 | 0.7217 (4) | 0.03534 (15) | 0.3023 (3) | 0.0313 (15) | |
O24 | 0.6049 (4) | 0.03093 (16) | 0.3964 (4) | 0.0366 (16) | |
O25 | 0.5548 (4) | 0.08991 (15) | 0.3268 (3) | 0.0298 (15) | |
O26 | 0.4649 (4) | 0.13432 (15) | 0.3956 (4) | 0.0329 (15) | |
O27 | 0.5341 (4) | 0.17792 (15) | 0.3055 (3) | 0.0311 (15) | |
O28 | 0.5475 (4) | 0.23415 (15) | 0.2240 (4) | 0.0356 (16) | |
O29 | 0.7892 (4) | 0.18907 (15) | 0.2072 (3) | 0.0303 (15) | |
O30 | 0.8793 (4) | 0.12131 (15) | 0.2077 (4) | 0.0334 (15) | |
O31 | 0.8422 (4) | 0.07420 (15) | 0.2906 (3) | 0.0309 (15) | |
O32 | 0.7040 (4) | 0.08430 (15) | 0.3951 (4) | 0.0335 (16) | |
O33 | 0.6332 (4) | 0.13874 (14) | 0.3955 (3) | 0.0294 (15) | |
O34 | 0.6817 (4) | 0.19723 (15) | 0.2920 (4) | 0.0307 (15) | |
O35 | 0.8871 (4) | 0.16061 (15) | 0.3276 (3) | 0.0287 (14) | |
O36 | 0.8479 (4) | 0.11339 (15) | 0.4125 (3) | 0.0313 (15) | |
O37 | 0.7757 (4) | 0.16895 (14) | 0.4119 (3) | 0.0280 (14) | |
O38 | 0.8373 (4) | 0.22268 (16) | 0.3492 (4) | 0.0378 (17) | |
O39 | 0.9875 (4) | 0.10693 (17) | 0.3492 (4) | 0.0375 (17) | |
O40 | 0.7556 (4) | 0.12525 (16) | 0.5261 (4) | 0.0356 (16) | |
C1 | 0.8477 (7) | 0.1906 (3) | 0.7708 (6) | 0.043 (3) | |
C2 | 0.9286 (7) | 0.1817 (3) | 0.7932 (7) | 0.053 (3) | |
H2 | 0.9666 | 0.1870 | 0.7618 | 0.063* | |
C3 | 0.9518 (7) | 0.1648 (3) | 0.8624 (7) | 0.052 (3) | |
H3 | 1.0066 | 0.1583 | 0.8784 | 0.062* | |
C4 | 0.8981 (7) | 0.1573 (3) | 0.9079 (7) | 0.050 (3) | |
H4 | 0.9154 | 0.1458 | 0.9553 | 0.060* | |
C5 | 0.8187 (6) | 0.1664 (2) | 0.8853 (6) | 0.041 (3) | |
H5 | 0.7813 | 0.1612 | 0.9174 | 0.049* | |
C6 | 0.7927 (6) | 0.1831 (3) | 0.8162 (6) | 0.039 (2) | |
C7 | 0.6520 (6) | 0.1695 (3) | 0.7822 (7) | 0.047 (3) | |
H7A | 0.6010 | 0.1787 | 0.7918 | 0.056* | |
H7B | 0.6682 | 0.1521 | 0.8207 | 0.056* | |
C8 | 0.6378 (7) | 0.1560 (3) | 0.7012 (7) | 0.055 (3) | |
H8A | 0.6899 | 0.1499 | 0.6875 | 0.066* | |
H8B | 0.6033 | 0.1369 | 0.6978 | 0.066* | |
C9 | 0.5859 (8) | 0.1707 (3) | 0.5690 (7) | 0.061 (3) | |
H9A | 0.5507 | 0.1517 | 0.5603 | 0.073* | |
H9B | 0.6381 | 0.1653 | 0.5547 | 0.073* | |
C10 | 0.5470 (8) | 0.1972 (3) | 0.5192 (7) | 0.059 (3) | |
H10A | 0.5311 | 0.1897 | 0.4643 | 0.070* | |
H10B | 0.4971 | 0.2035 | 0.5369 | 0.070* | |
C11 | 0.6511 (8) | 0.2223 (3) | 0.4675 (7) | 0.068 (4) | |
H11A | 0.6207 | 0.2265 | 0.4136 | 0.081* | |
H11B | 0.6743 | 0.2007 | 0.4686 | 0.081* | |
C12 | 0.7169 (8) | 0.2459 (4) | 0.4891 (7) | 0.068 (4) | |
H12A | 0.7528 | 0.2441 | 0.4508 | 0.082* | |
H12B | 0.6925 | 0.2673 | 0.4833 | 0.082* | |
C13 | 0.8198 (10) | 0.2210 (4) | 0.5704 (9) | 0.093 (5)* | |
H13A | 0.8564 | 0.2260 | 0.5342 | 0.112* | |
H13B | 0.7928 | 0.2006 | 0.5534 | 0.112* | |
C14 | 0.8707 (7) | 0.2172 (4) | 0.6546 (7) | 0.072 (4) | |
H14A | 0.9137 | 0.2012 | 0.6555 | 0.086* | |
H14B | 0.8962 | 0.2377 | 0.6739 | 0.086* | |
O41 | 0.8158 (4) | 0.2072 (2) | 0.7023 (5) | 0.059 (2) | |
O42 | 0.7141 (4) | 0.19372 (17) | 0.7943 (4) | 0.0429 (18) | |
O43 | 0.5988 (4) | 0.17981 (17) | 0.6487 (4) | 0.0448 (18) | |
O44 | 0.5979 (4) | 0.22410 (19) | 0.5214 (4) | 0.050 (2) | |
O45 | 0.7649 (5) | 0.2434 (2) | 0.5651 (5) | 0.072 (3) | |
C15 | 0.7900 (7) | 0.2878 (4) | 0.7998 (7) | 0.062 (4) | |
C16 | 0.8712 (9) | 0.2862 (4) | 0.8029 (8) | 0.085 (5) | |
H16 | 0.8953 | 0.2972 | 0.7658 | 0.102* | |
C17 | 0.9186 (9) | 0.2677 (4) | 0.8630 (8) | 0.086 (5) | |
H17 | 0.9750 | 0.2658 | 0.8647 | 0.104* | |
C18 | 0.8856 (9) | 0.2526 (4) | 0.9188 (9) | 0.082 (5) | |
H18 | 0.9178 | 0.2403 | 0.9593 | 0.098* | |
C19 | 0.8007 (8) | 0.2560 (4) | 0.9133 (7) | 0.070 (4) | |
H19 | 0.7748 | 0.2457 | 0.9501 | 0.083* | |
C20 | 0.7559 (7) | 0.2745 (3) | 0.8536 (8) | 0.066 (4) | |
C21 | 0.6301 (7) | 0.2569 (4) | 0.8814 (8) | 0.074 (4)* | |
H21A | 0.6365 | 0.2638 | 0.9367 | 0.089* | |
H21B | 0.6519 | 0.2351 | 0.8810 | 0.089* | |
C22 | 0.5440 (8) | 0.2570 (4) | 0.8438 (9) | 0.091 (5)* | |
H22A | 0.5130 | 0.2449 | 0.8766 | 0.109* | |
H22B | 0.5236 | 0.2791 | 0.8395 | 0.109* | |
C23 | 0.4611 (10) | 0.2491 (4) | 0.7168 (10) | 0.093 (5)* | |
H23A | 0.4160 | 0.2477 | 0.7452 | 0.112* | |
H23B | 0.4539 | 0.2316 | 0.6779 | 0.112* | |
C24 | 0.4531 (11) | 0.2791 (4) | 0.6735 (10) | 0.106 (6)* | |
H24A | 0.3996 | 0.2800 | 0.6376 | 0.127* | |
H24B | 0.4568 | 0.2971 | 0.7107 | 0.127* | |
C25 | 0.5186 (11) | 0.3112 (5) | 0.5986 (11) | 0.120 (7)* | |
H25A | 0.5309 | 0.3268 | 0.6419 | 0.144* | |
H25B | 0.4649 | 0.3166 | 0.5667 | 0.144* | |
C26 | 0.5792 (10) | 0.3147 (5) | 0.5490 (11) | 0.115 (6)* | |
H26A | 0.5637 | 0.3010 | 0.5022 | 0.138* | |
H26B | 0.5789 | 0.3370 | 0.5307 | 0.138* | |
C27 | 0.7009 (9) | 0.3331 (4) | 0.6251 (9) | 0.081 (4)* | |
H27A | 0.6662 | 0.3457 | 0.6534 | 0.097* | |
H27B | 0.7190 | 0.3469 | 0.5860 | 0.097* | |
C28 | 0.7724 (9) | 0.3193 (4) | 0.6818 (8) | 0.074 (4)* | |
H28A | 0.7996 | 0.3029 | 0.6556 | 0.089* | |
H28B | 0.8121 | 0.3362 | 0.7021 | 0.089* | |
O46 | 0.7408 (6) | 0.3058 (2) | 0.7434 (5) | 0.077 (3) | |
O47 | 0.6723 (6) | 0.2768 (2) | 0.8426 (5) | 0.078 (3) | |
O48 | 0.5324 (6) | 0.2436 (3) | 0.7704 (6) | 0.087 (3) | |
O49 | 0.5141 (6) | 0.2815 (3) | 0.6305 (7) | 0.100 (4) | |
O50 | 0.6593 (6) | 0.3066 (2) | 0.5889 (6) | 0.083 (3) | |
C29 | 0.3593 (6) | 0.1016 (2) | 0.8044 (7) | 0.042 (3) | |
C30 | 0.4006 (6) | 0.1032 (3) | 0.8795 (7) | 0.049 (3) | |
H30 | 0.4213 | 0.1231 | 0.9003 | 0.059* | |
C31 | 0.4131 (7) | 0.0766 (3) | 0.9267 (7) | 0.055 (3) | |
H31 | 0.4429 | 0.0781 | 0.9791 | 0.065* | |
C32 | 0.3825 (6) | 0.0484 (3) | 0.8973 (6) | 0.047 (3) | |
H32 | 0.3924 | 0.0299 | 0.9290 | 0.056* | |
C33 | 0.3363 (7) | 0.0461 (3) | 0.8208 (7) | 0.046 (3) | |
H33 | 0.3138 | 0.0262 | 0.8019 | 0.056* | |
C34 | 0.3235 (6) | 0.0724 (2) | 0.7732 (6) | 0.034 (2) | |
C35 | 0.2420 (8) | 0.0445 (3) | 0.6678 (7) | 0.056 (3)* | |
H35A | 0.1985 | 0.0390 | 0.6961 | 0.068* | |
H35B | 0.2815 | 0.0269 | 0.6744 | 0.068* | |
C36 | 0.2079 (9) | 0.0498 (4) | 0.5840 (8) | 0.078 (4)* | |
H36A | 0.2529 | 0.0541 | 0.5568 | 0.094* | |
H36B | 0.1814 | 0.0299 | 0.5617 | 0.094* | |
C37 | 0.1264 (8) | 0.0803 (3) | 0.4853 (8) | 0.067 (4)* | |
H37A | 0.1056 | 0.0605 | 0.4576 | 0.081* | |
H37B | 0.0810 | 0.0955 | 0.4798 | 0.081* | |
C38 | 0.1887 (8) | 0.0935 (3) | 0.4482 (8) | 0.069 (4)* | |
H38A | 0.1673 | 0.0961 | 0.3912 | 0.082* | |
H38B | 0.2355 | 0.0788 | 0.4552 | 0.082* | |
C39 | 0.2823 (11) | 0.1363 (4) | 0.4642 (10) | 0.113 (6)* | |
H39A | 0.2676 | 0.1471 | 0.4128 | 0.136* | |
H39B | 0.3174 | 0.1180 | 0.4580 | 0.136* | |
C40 | 0.3275 (10) | 0.1584 (4) | 0.5222 (9) | 0.090 (5)* | |
H40A | 0.3763 | 0.1657 | 0.5039 | 0.108* | |
H40B | 0.2934 | 0.1773 | 0.5261 | 0.108* | |
C41 | 0.3915 (10) | 0.1586 (4) | 0.6565 (8) | 0.088 (5)* | |
H41A | 0.3602 | 0.1775 | 0.6666 | 0.105* | |
H41B | 0.4420 | 0.1663 | 0.6423 | 0.105* | |
C42 | 0.4134 (9) | 0.1407 (4) | 0.7299 (8) | 0.079 (4)* | |
H42A | 0.4441 | 0.1548 | 0.7710 | 0.095* | |
H42B | 0.4492 | 0.1229 | 0.7223 | 0.095* | |
O51 | 0.3428 (4) | 0.12810 (17) | 0.7569 (5) | 0.055 (2) | |
O52 | 0.2805 (4) | 0.07320 (17) | 0.6980 (4) | 0.0457 (19) | |
O53 | 0.1551 (6) | 0.0732 (2) | 0.5686 (5) | 0.075 (3) | |
O54 | 0.2159 (5) | 0.1257 (3) | 0.4846 (5) | 0.076 (3) | |
O55 | 0.3515 (6) | 0.1444 (3) | 0.5983 (6) | 0.107 (4) | |
C43 | 0.1504 (6) | 0.1248 (2) | 0.8360 (6) | 0.037 (2) | |
C44 | 0.1976 (7) | 0.1149 (3) | 0.9056 (6) | 0.043 (3) | |
H44 | 0.2325 | 0.1293 | 0.9380 | 0.051* | |
C45 | 0.1935 (7) | 0.0830 (3) | 0.9283 (7) | 0.051 (3) | |
H45 | 0.2273 | 0.0757 | 0.9754 | 0.061* | |
C46 | 0.1406 (8) | 0.0623 (3) | 0.8824 (8) | 0.065 (4) | |
H46 | 0.1368 | 0.0409 | 0.8984 | 0.078* | |
C47 | 0.0929 (8) | 0.0731 (3) | 0.8125 (7) | 0.061 (3) | |
H47 | 0.0576 | 0.0588 | 0.7799 | 0.073* | |
C48 | 0.0966 (6) | 0.1040 (3) | 0.7904 (6) | 0.047 (3) | |
C49 | 0.0038 (7) | 0.0987 (3) | 0.6671 (7) | 0.061 (4) | |
H49A | −0.0378 | 0.0874 | 0.6895 | 0.073* | |
H49B | 0.0380 | 0.0827 | 0.6474 | 0.073* | |
C50 | −0.0347 (7) | 0.1204 (3) | 0.6027 (7) | 0.062 (4) | |
H50A | −0.0710 | 0.1081 | 0.5614 | 0.074* | |
H50B | −0.0677 | 0.1365 | 0.6235 | 0.074* | |
C51 | −0.0067 (9) | 0.1629 (4) | 0.5306 (9) | 0.081 (4)* | |
H51A | −0.0371 | 0.1749 | 0.5641 | 0.097* | |
H51B | −0.0456 | 0.1565 | 0.4825 | 0.097* | |
C52 | 0.0531 (10) | 0.1839 (4) | 0.5083 (11) | 0.118 (6)* | |
H52A | 0.0706 | 0.1743 | 0.4624 | 0.141* | |
H52B | 0.0258 | 0.2041 | 0.4904 | 0.141* | |
C53 | 0.1232 (8) | 0.2178 (3) | 0.6115 (7) | 0.065 (4) | |
H53A | 0.0830 | 0.2152 | 0.6454 | 0.078* | |
H53B | 0.1082 | 0.2367 | 0.5780 | 0.078* | |
C54 | 0.2058 (8) | 0.2220 (3) | 0.6610 (7) | 0.060 (3) | |
H54A | 0.2461 | 0.2214 | 0.6268 | 0.071* | |
H54B | 0.2092 | 0.2430 | 0.6866 | 0.071* | |
C55 | 0.2024 (8) | 0.2058 (3) | 0.7923 (6) | 0.056 (3) | |
H55A | 0.1456 | 0.2132 | 0.7825 | 0.067* | |
H55B | 0.2375 | 0.2230 | 0.8192 | 0.067* | |
C56 | 0.2117 (7) | 0.1767 (3) | 0.8417 (7) | 0.052 (3) | |
H56A | 0.2655 | 0.1670 | 0.8437 | 0.063* | |
H56B | 0.2063 | 0.1819 | 0.8959 | 0.063* | |
O56 | 0.1493 (5) | 0.15534 (17) | 0.8062 (4) | 0.0493 (19) | |
O57 | 0.0509 (5) | 0.1181 (2) | 0.7237 (5) | 0.058 (2) | |
O58 | 0.0246 (5) | 0.1356 (2) | 0.5704 (5) | 0.065 (2) | |
O59 | 0.1237 (5) | 0.19114 (19) | 0.5652 (4) | 0.052 (2) | |
O60 | 0.2251 (4) | 0.19795 (17) | 0.7199 (4) | 0.0455 (18) | |
C57 | 0.1941 (6) | −0.0003 (2) | 0.4147 (5) | 0.032 (2) | |
C58 | 0.2135 (7) | −0.0213 (3) | 0.4764 (6) | 0.044 (3) | |
H58 | 0.2684 | −0.0246 | 0.5012 | 0.052* | |
C59 | 0.1521 (7) | −0.0380 (3) | 0.5024 (7) | 0.051 (3) | |
H59 | 0.1658 | −0.0523 | 0.5453 | 0.061* | |
C60 | 0.0735 (7) | −0.0339 (3) | 0.4675 (7) | 0.049 (3) | |
H60 | 0.0324 | −0.0454 | 0.4857 | 0.059* | |
C61 | 0.0533 (6) | −0.0127 (2) | 0.4043 (6) | 0.040 (3) | |
H61 | −0.0017 | −0.0097 | 0.3794 | 0.048* | |
C62 | 0.1137 (6) | 0.0039 (2) | 0.3781 (5) | 0.030 (2) | |
C63 | 0.0208 (6) | 0.0289 (3) | 0.2731 (6) | 0.040 (3) | |
H63A | −0.0157 | 0.0363 | 0.3072 | 0.048* | |
H63B | 0.0000 | 0.0085 | 0.2488 | 0.048* | |
C64 | 0.0258 (7) | 0.0529 (3) | 0.2113 (6) | 0.049 (3) | |
H64A | −0.0291 | 0.0584 | 0.1823 | 0.059* | |
H64B | 0.0521 | 0.0725 | 0.2356 | 0.059* | |
C65 | 0.0974 (6) | 0.0624 (3) | 0.1085 (6) | 0.041 (3) | |
H65A | 0.0518 | 0.0769 | 0.0882 | 0.050* | |
H65B | 0.1116 | 0.0512 | 0.0630 | 0.050* | |
C66 | 0.1686 (7) | 0.0817 (3) | 0.1482 (7) | 0.049 (3) | |
H66A | 0.1822 | 0.0977 | 0.1114 | 0.059* | |
H66B | 0.1554 | 0.0929 | 0.1940 | 0.059* | |
C67 | 0.3036 (6) | 0.0773 (3) | 0.2185 (8) | 0.055 (3) | |
H67A | 0.2894 | 0.0863 | 0.2665 | 0.066* | |
H67B | 0.3200 | 0.0950 | 0.1875 | 0.066* | |
C69 | 0.3737 (6) | 0.0387 (3) | 0.3737 (6) | 0.045 (3) | |
H69A | 0.3532 | 0.0603 | 0.3800 | 0.054* | |
H69B | 0.4328 | 0.0385 | 0.3943 | 0.054* | |
C70 | 0.3336 (6) | 0.0156 (3) | 0.4181 (6) | 0.045 (3) | |
H70A | 0.3522 | −0.0063 | 0.4108 | 0.054* | |
H70B | 0.3458 | 0.0207 | 0.4749 | 0.054* | |
O61 | 0.2480 (4) | 0.01855 (18) | 0.3866 (4) | 0.0429 (18) | |
O62 | 0.1011 (4) | 0.02498 (17) | 0.3178 (4) | 0.0381 (17) | |
O63 | 0.0719 (4) | 0.03963 (17) | 0.1590 (4) | 0.0386 (17) | |
O64 | 0.2356 (4) | 0.06106 (17) | 0.1732 (4) | 0.0460 (19) | |
O65 | 0.3572 (4) | 0.03010 (18) | 0.2938 (4) | 0.049 (2) | |
C68 | 0.3717 (6) | 0.0540 (3) | 0.2400 (7) | 0.054 (3) | |
H68A | 0.3811 | 0.0436 | 0.1916 | 0.064* | |
H68B | 0.4216 | 0.0657 | 0.2637 | 0.064* | |
C71 | 0.4066 (6) | 0.9458 (3) | 0.2910 (6) | 0.042 (3) | |
C72 | 0.4894 (8) | 0.9438 (3) | 0.3204 (8) | 0.064 (4) | |
H72 | 0.5264 | 0.9505 | 0.2892 | 0.077* | |
C73 | 0.5181 (9) | 0.9321 (4) | 0.3961 (9) | 0.083 (5) | |
H73 | 0.5747 | 0.9303 | 0.4150 | 0.100* | |
C74 | 0.4670 (9) | 0.9232 (3) | 0.4431 (8) | 0.076 (4) | |
H74 | 0.4876 | 0.9151 | 0.4942 | 0.091* | |
C75 | 0.3852 (9) | 0.9260 (3) | 0.4156 (7) | 0.064 (4) | |
H75 | 0.3488 | 0.9206 | 0.4487 | 0.077* | |
C76 | 0.3549 (7) | 0.9368 (3) | 0.3389 (7) | 0.047 (3) | |
C77 | 0.2147 (7) | 0.9186 (3) | 0.3144 (7) | 0.048 (3) | |
H77A | 0.1720 | 0.9265 | 0.3410 | 0.058* | |
H77B | 0.2406 | 0.9000 | 0.3441 | 0.058* | |
C78 | 0.1781 (10) | 0.9089 (3) | 0.2327 (7) | 0.071 (4) | |
H78A | 0.2208 | 0.9015 | 0.2054 | 0.085* | |
H78B | 0.1395 | 0.8913 | 0.2333 | 0.085* | |
C79 | 0.1063 (9) | 0.9291 (3) | 0.1093 (7) | 0.067 (4) | |
H79A | 0.0615 | 0.9135 | 0.1031 | 0.081* | |
H79B | 0.1498 | 0.9201 | 0.0853 | 0.081* | |
C80 | 0.0770 (8) | 0.9598 (3) | 0.0705 (7) | 0.061 (3) | |
H80A | 0.0467 | 0.9552 | 0.0167 | 0.074* | |
H80B | 0.0388 | 0.9696 | 0.0998 | 0.074* | |
C81 | 0.1874 (8) | 0.9755 (3) | 0.0081 (7) | 0.058 (3) | |
H81A | 0.1536 | 0.9775 | −0.0452 | 0.070* | |
H81B | 0.2089 | 0.9536 | 0.0148 | 0.070* | |
C82 | 0.2547 (8) | 0.9987 (3) | 0.0187 (7) | 0.055 (3) | |
H82A | 0.2835 | 0.9963 | −0.0252 | 0.066* | |
H82B | 0.2321 | 1.0204 | 0.0163 | 0.066* | |
C83 | 0.3691 (8) | 0.9709 (3) | 0.0877 (7) | 0.056 (3) | |
H83A | 0.4025 | 0.9771 | 0.0494 | 0.067* | |
H83B | 0.3413 | 0.9508 | 0.0696 | 0.067* | |
C84 | 0.4216 (7) | 0.9661 (3) | 0.1648 (7) | 0.055 (3) | |
H84A | 0.4628 | 0.9497 | 0.1614 | 0.066* | |
H84B | 0.4497 | 0.9861 | 0.1837 | 0.066* | |
O66 | 0.3710 (4) | 0.95598 (18) | 0.2173 (4) | 0.0439 (18) | |
O67 | 0.2743 (5) | 0.9431 (2) | 0.3135 (6) | 0.072 (3) | |
O68 | 0.1370 (5) | 0.93576 (18) | 0.1925 (4) | 0.050 (2) | |
O69 | 0.1400 (5) | 0.98217 (18) | 0.0659 (4) | 0.050 (2) | |
O70 | 0.3106 (5) | 0.99490 (17) | 0.0904 (4) | 0.0491 (19) | |
O71 | 0.4926 (14) | 0.2158 (5) | 0.9946 (14) | 0.226 (9)* | |
H71 | 0.5001 | 0.2080 | 1.0400 | 0.338* | |
C85 | 0.429 (2) | 0.2000 (9) | 0.946 (2) | 0.251 (16)* | |
H85A | 0.3869 | 0.2153 | 0.9243 | 0.376* | |
H85B | 0.4071 | 0.1840 | 0.9769 | 0.376* | |
H85C | 0.4492 | 0.1896 | 0.9035 | 0.376* | |
O1W | 0.6608 (5) | 0.24538 (19) | 0.6796 (4) | 0.052 (2) | |
O2W | 0.2199 (5) | 0.99772 (18) | 0.2171 (4) | 0.052 (2) | |
O3W | 0.1932 (5) | 0.13447 (19) | 0.6450 (5) | 0.056 (2) | |
O4W | 0.1121 (14) | 0.1487 (6) | 0.2817 (14) | 0.248* |
U11 | U22 | U33 | U12 | U13 | U23 | |
W1 | 0.01851 (19) | 0.0284 (2) | 0.0273 (2) | 0.00087 (16) | 0.00063 (15) | 0.00311 (16) |
W2 | 0.0235 (2) | 0.0287 (2) | 0.02187 (19) | −0.00152 (16) | 0.00257 (14) | 0.00042 (16) |
W3 | 0.0226 (2) | 0.02211 (19) | 0.02577 (19) | −0.00213 (15) | 0.00170 (15) | −0.00028 (15) |
W4 | 0.0263 (2) | 0.0214 (2) | 0.0313 (2) | 0.00210 (16) | 0.00666 (16) | 0.00114 (16) |
W5 | 0.0262 (2) | 0.0227 (2) | 0.0277 (2) | −0.00144 (16) | 0.00708 (15) | 0.00332 (16) |
W6 | 0.0226 (2) | 0.0283 (2) | 0.0295 (2) | −0.00010 (16) | 0.00820 (15) | −0.00064 (16) |
W7 | 0.0232 (2) | 0.0227 (2) | 0.0336 (2) | 0.00327 (16) | 0.00570 (16) | 0.00283 (16) |
W8 | 0.0236 (2) | 0.0241 (2) | 0.0276 (2) | −0.00179 (16) | 0.00252 (15) | 0.00603 (16) |
W9 | 0.02059 (19) | 0.0276 (2) | 0.02573 (19) | 0.00017 (16) | 0.00606 (15) | 0.00099 (16) |
W10 | 0.0256 (2) | 0.0255 (2) | 0.0259 (2) | −0.00601 (16) | 0.00346 (15) | −0.00150 (16) |
W11 | 0.01786 (19) | 0.0348 (2) | 0.0269 (2) | 0.00014 (16) | 0.00026 (15) | −0.00041 (17) |
W12 | 0.0254 (2) | 0.0298 (2) | 0.02139 (19) | −0.00202 (16) | 0.00055 (15) | 0.00149 (16) |
P1 | 0.0200 (12) | 0.0206 (12) | 0.0205 (11) | 0.0011 (9) | 0.0028 (9) | 0.0010 (9) |
O1 | 0.020 (3) | 0.021 (3) | 0.030 (3) | 0.001 (3) | 0.001 (3) | 0.002 (3) |
O2 | 0.020 (3) | 0.032 (4) | 0.024 (3) | 0.001 (3) | 0.007 (2) | 0.008 (3) |
O3 | 0.022 (3) | 0.025 (3) | 0.026 (3) | −0.004 (3) | 0.003 (3) | 0.006 (3) |
O4 | 0.024 (3) | 0.027 (4) | 0.027 (3) | −0.002 (3) | 0.003 (3) | 0.001 (3) |
O5 | 0.016 (3) | 0.044 (4) | 0.038 (4) | 0.006 (3) | −0.002 (3) | 0.004 (3) |
O6 | 0.039 (4) | 0.036 (4) | 0.026 (3) | −0.001 (3) | 0.006 (3) | 0.001 (3) |
O7 | 0.031 (4) | 0.030 (4) | 0.036 (4) | −0.008 (3) | −0.002 (3) | −0.003 (3) |
O8 | 0.026 (3) | 0.028 (4) | 0.032 (4) | 0.000 (3) | 0.006 (3) | 0.006 (3) |
O9 | 0.030 (4) | 0.027 (4) | 0.028 (3) | 0.004 (3) | 0.006 (3) | 0.001 (3) |
O10 | 0.021 (3) | 0.030 (4) | 0.032 (4) | 0.003 (3) | 0.007 (3) | 0.004 (3) |
O11 | 0.028 (4) | 0.029 (4) | 0.027 (3) | 0.000 (3) | 0.004 (3) | −0.001 (3) |
O12 | 0.029 (4) | 0.026 (4) | 0.029 (3) | −0.001 (3) | 0.007 (3) | −0.002 (3) |
O13 | 0.031 (4) | 0.030 (4) | 0.029 (3) | 0.005 (3) | 0.002 (3) | 0.004 (3) |
O14 | 0.024 (3) | 0.026 (4) | 0.029 (3) | −0.004 (3) | 0.008 (3) | 0.001 (3) |
O15 | 0.020 (3) | 0.029 (4) | 0.033 (4) | −0.002 (3) | 0.002 (3) | 0.001 (3) |
O16 | 0.028 (4) | 0.027 (4) | 0.032 (4) | 0.002 (3) | 0.002 (3) | 0.005 (3) |
O17 | 0.032 (4) | 0.021 (3) | 0.033 (4) | 0.003 (3) | 0.008 (3) | 0.002 (3) |
O18 | 0.040 (4) | 0.035 (4) | 0.034 (4) | 0.000 (3) | 0.011 (3) | 0.009 (3) |
O19 | 0.024 (3) | 0.038 (4) | 0.033 (4) | −0.005 (3) | 0.009 (3) | 0.000 (3) |
O20 | 0.031 (4) | 0.033 (4) | 0.030 (4) | −0.001 (3) | 0.009 (3) | 0.003 (3) |
O21 | 0.032 (4) | 0.027 (4) | 0.030 (3) | −0.002 (3) | 0.011 (3) | −0.002 (3) |
O22 | 0.028 (4) | 0.030 (4) | 0.049 (4) | 0.013 (3) | 0.000 (3) | 0.003 (3) |
O23 | 0.025 (3) | 0.038 (4) | 0.028 (3) | 0.000 (3) | 0.000 (3) | 0.000 (3) |
O24 | 0.038 (4) | 0.039 (4) | 0.030 (4) | −0.009 (3) | 0.001 (3) | 0.011 (3) |
O25 | 0.025 (3) | 0.031 (4) | 0.032 (4) | −0.001 (3) | 0.001 (3) | 0.000 (3) |
O26 | 0.028 (4) | 0.036 (4) | 0.038 (4) | −0.002 (3) | 0.012 (3) | −0.007 (3) |
O27 | 0.030 (4) | 0.032 (4) | 0.031 (4) | −0.004 (3) | 0.003 (3) | 0.000 (3) |
O28 | 0.039 (4) | 0.022 (4) | 0.047 (4) | 0.003 (3) | 0.011 (3) | 0.000 (3) |
O29 | 0.024 (3) | 0.035 (4) | 0.032 (4) | 0.002 (3) | 0.007 (3) | 0.002 (3) |
O30 | 0.034 (4) | 0.034 (4) | 0.032 (4) | −0.005 (3) | 0.005 (3) | 0.002 (3) |
O31 | 0.026 (3) | 0.036 (4) | 0.030 (4) | −0.002 (3) | 0.003 (3) | 0.004 (3) |
O32 | 0.028 (4) | 0.033 (4) | 0.037 (4) | 0.007 (3) | −0.002 (3) | 0.005 (3) |
O33 | 0.030 (4) | 0.023 (3) | 0.031 (4) | 0.000 (3) | −0.003 (3) | −0.004 (3) |
O34 | 0.023 (3) | 0.035 (4) | 0.034 (4) | −0.002 (3) | 0.004 (3) | −0.004 (3) |
O35 | 0.031 (4) | 0.031 (4) | 0.025 (3) | 0.000 (3) | 0.009 (3) | 0.001 (3) |
O36 | 0.030 (4) | 0.033 (4) | 0.029 (4) | −0.005 (3) | 0.001 (3) | −0.001 (3) |
O37 | 0.031 (4) | 0.024 (3) | 0.029 (3) | 0.000 (3) | 0.006 (3) | 0.005 (3) |
O38 | 0.037 (4) | 0.033 (4) | 0.045 (4) | −0.009 (3) | 0.011 (3) | −0.012 (3) |
O39 | 0.020 (3) | 0.050 (5) | 0.037 (4) | −0.001 (3) | −0.005 (3) | 0.002 (3) |
O40 | 0.031 (4) | 0.042 (4) | 0.032 (4) | −0.005 (3) | 0.001 (3) | 0.003 (3) |
C1 | 0.047 (7) | 0.054 (7) | 0.031 (6) | 0.005 (6) | 0.015 (5) | 0.008 (5) |
C2 | 0.037 (7) | 0.076 (9) | 0.048 (7) | 0.005 (6) | 0.015 (5) | 0.002 (6) |
C3 | 0.040 (7) | 0.056 (8) | 0.054 (7) | 0.015 (6) | −0.003 (5) | −0.008 (6) |
C4 | 0.057 (8) | 0.048 (7) | 0.043 (7) | 0.012 (6) | 0.005 (6) | 0.004 (5) |
C5 | 0.048 (7) | 0.033 (6) | 0.042 (6) | −0.003 (5) | 0.012 (5) | −0.001 (5) |
C6 | 0.036 (6) | 0.041 (6) | 0.040 (6) | −0.002 (5) | 0.011 (5) | −0.002 (5) |
C7 | 0.034 (6) | 0.045 (7) | 0.063 (8) | −0.004 (5) | 0.012 (5) | 0.016 (6) |
C8 | 0.046 (7) | 0.045 (7) | 0.072 (9) | 0.003 (6) | 0.008 (6) | 0.003 (6) |
C9 | 0.054 (8) | 0.058 (9) | 0.071 (9) | −0.005 (6) | 0.013 (6) | −0.023 (7) |
C10 | 0.061 (8) | 0.056 (8) | 0.055 (8) | 0.003 (7) | 0.003 (6) | −0.014 (6) |
C11 | 0.071 (9) | 0.080 (10) | 0.050 (8) | −0.006 (8) | 0.008 (7) | −0.023 (7) |
C12 | 0.056 (8) | 0.104 (12) | 0.044 (7) | −0.003 (8) | 0.011 (6) | 0.013 (7) |
C14 | 0.036 (7) | 0.128 (13) | 0.056 (8) | 0.015 (8) | 0.024 (6) | 0.031 (8) |
O41 | 0.038 (4) | 0.088 (7) | 0.056 (5) | 0.013 (4) | 0.023 (4) | 0.026 (5) |
O42 | 0.031 (4) | 0.048 (5) | 0.051 (5) | 0.000 (3) | 0.012 (3) | 0.003 (4) |
O43 | 0.041 (4) | 0.036 (4) | 0.056 (5) | 0.000 (3) | 0.007 (4) | −0.007 (4) |
O44 | 0.045 (5) | 0.057 (5) | 0.049 (5) | −0.005 (4) | 0.012 (4) | −0.016 (4) |
O45 | 0.057 (6) | 0.114 (8) | 0.052 (5) | 0.023 (5) | 0.023 (4) | 0.019 (5) |
C15 | 0.044 (7) | 0.103 (12) | 0.035 (7) | −0.006 (7) | −0.006 (5) | 0.004 (7) |
C16 | 0.082 (11) | 0.124 (14) | 0.044 (8) | −0.028 (10) | 0.002 (7) | 0.005 (8) |
C17 | 0.069 (10) | 0.120 (14) | 0.068 (10) | −0.044 (10) | 0.011 (8) | −0.014 (9) |
C18 | 0.066 (10) | 0.094 (12) | 0.073 (10) | −0.009 (9) | −0.016 (8) | −0.005 (9) |
C19 | 0.069 (9) | 0.092 (11) | 0.051 (8) | −0.021 (8) | 0.021 (7) | −0.002 (7) |
C20 | 0.027 (7) | 0.087 (11) | 0.076 (9) | −0.014 (7) | −0.006 (6) | 0.012 (8) |
O46 | 0.070 (6) | 0.098 (8) | 0.062 (6) | −0.023 (6) | 0.014 (5) | 0.015 (5) |
O47 | 0.092 (7) | 0.088 (7) | 0.060 (6) | 0.009 (6) | 0.032 (5) | 0.011 (5) |
O48 | 0.071 (7) | 0.108 (9) | 0.083 (7) | −0.007 (6) | 0.020 (5) | −0.033 (6) |
O49 | 0.070 (7) | 0.123 (10) | 0.115 (9) | 0.029 (6) | 0.035 (6) | 0.027 (7) |
O50 | 0.084 (7) | 0.076 (7) | 0.079 (7) | 0.005 (6) | −0.007 (5) | −0.004 (5) |
C29 | 0.040 (6) | 0.027 (6) | 0.058 (7) | 0.003 (5) | 0.003 (5) | 0.006 (5) |
C30 | 0.031 (6) | 0.039 (7) | 0.068 (8) | −0.005 (5) | −0.012 (5) | −0.009 (6) |
C31 | 0.038 (7) | 0.068 (9) | 0.052 (7) | 0.002 (6) | −0.005 (5) | −0.002 (6) |
C32 | 0.027 (6) | 0.058 (8) | 0.050 (7) | 0.005 (5) | −0.005 (5) | 0.012 (6) |
C33 | 0.047 (7) | 0.034 (6) | 0.058 (7) | −0.007 (5) | 0.009 (6) | 0.002 (5) |
C34 | 0.030 (6) | 0.026 (6) | 0.046 (6) | 0.005 (4) | 0.009 (5) | −0.001 (5) |
O51 | 0.041 (5) | 0.036 (4) | 0.079 (6) | −0.003 (4) | −0.006 (4) | 0.017 (4) |
O52 | 0.057 (5) | 0.035 (4) | 0.038 (4) | −0.009 (4) | −0.007 (3) | 0.000 (3) |
O53 | 0.096 (7) | 0.069 (6) | 0.049 (5) | 0.007 (5) | −0.007 (5) | −0.006 (5) |
O54 | 0.051 (5) | 0.113 (8) | 0.066 (6) | 0.000 (5) | 0.017 (4) | −0.007 (6) |
O55 | 0.076 (7) | 0.178 (12) | 0.065 (6) | −0.051 (7) | 0.008 (5) | 0.031 (7) |
C43 | 0.040 (6) | 0.037 (6) | 0.039 (6) | 0.008 (5) | 0.018 (5) | 0.001 (5) |
C44 | 0.053 (7) | 0.045 (7) | 0.030 (6) | −0.003 (5) | 0.008 (5) | −0.001 (5) |
C45 | 0.065 (8) | 0.042 (7) | 0.048 (7) | 0.006 (6) | 0.018 (6) | 0.014 (6) |
C46 | 0.074 (9) | 0.054 (8) | 0.065 (9) | −0.002 (7) | 0.011 (7) | 0.020 (7) |
C47 | 0.063 (8) | 0.058 (9) | 0.061 (8) | −0.027 (7) | 0.010 (6) | 0.005 (7) |
C48 | 0.038 (6) | 0.058 (8) | 0.042 (6) | −0.007 (6) | 0.005 (5) | 0.008 (6) |
C49 | 0.049 (8) | 0.079 (10) | 0.049 (7) | −0.023 (7) | −0.003 (6) | 0.006 (7) |
C50 | 0.041 (7) | 0.076 (10) | 0.066 (8) | 0.000 (7) | 0.002 (6) | −0.002 (7) |
C53 | 0.089 (10) | 0.064 (9) | 0.047 (7) | 0.039 (8) | 0.027 (7) | 0.015 (7) |
C54 | 0.096 (10) | 0.031 (7) | 0.053 (8) | −0.008 (6) | 0.016 (7) | −0.010 (6) |
C55 | 0.089 (10) | 0.034 (7) | 0.044 (7) | −0.006 (6) | 0.013 (6) | −0.001 (5) |
C56 | 0.065 (8) | 0.044 (7) | 0.044 (7) | −0.009 (6) | 0.004 (6) | −0.008 (6) |
O56 | 0.055 (5) | 0.034 (4) | 0.054 (5) | −0.002 (4) | 0.002 (4) | 0.005 (4) |
O57 | 0.056 (5) | 0.059 (6) | 0.051 (5) | −0.010 (4) | −0.006 (4) | −0.002 (4) |
O58 | 0.047 (5) | 0.070 (6) | 0.066 (6) | −0.009 (4) | −0.017 (4) | 0.025 (5) |
O59 | 0.049 (5) | 0.050 (5) | 0.053 (5) | −0.011 (4) | 0.000 (4) | 0.012 (4) |
O60 | 0.058 (5) | 0.032 (4) | 0.044 (4) | −0.002 (4) | 0.007 (4) | 0.006 (3) |
C57 | 0.037 (6) | 0.029 (5) | 0.029 (5) | 0.007 (5) | 0.003 (4) | 0.000 (4) |
C58 | 0.036 (6) | 0.042 (7) | 0.050 (7) | 0.007 (5) | 0.005 (5) | −0.001 (5) |
C59 | 0.057 (8) | 0.040 (7) | 0.051 (7) | 0.014 (6) | 0.002 (6) | 0.009 (6) |
C60 | 0.046 (7) | 0.047 (7) | 0.053 (7) | −0.004 (6) | 0.006 (6) | 0.005 (6) |
C61 | 0.040 (6) | 0.026 (6) | 0.057 (7) | 0.003 (5) | 0.015 (5) | 0.000 (5) |
C62 | 0.037 (6) | 0.026 (5) | 0.027 (5) | 0.007 (4) | 0.006 (4) | 0.001 (4) |
C63 | 0.031 (6) | 0.046 (7) | 0.041 (6) | 0.006 (5) | 0.004 (5) | 0.005 (5) |
C64 | 0.042 (7) | 0.065 (8) | 0.043 (7) | 0.016 (6) | 0.013 (5) | 0.010 (6) |
C65 | 0.024 (5) | 0.057 (7) | 0.041 (6) | 0.003 (5) | 0.001 (4) | 0.006 (5) |
C66 | 0.052 (7) | 0.036 (7) | 0.064 (8) | 0.000 (6) | 0.023 (6) | 0.008 (6) |
C67 | 0.034 (7) | 0.051 (8) | 0.080 (9) | −0.011 (6) | 0.011 (6) | 0.001 (6) |
C69 | 0.024 (6) | 0.054 (7) | 0.055 (7) | −0.010 (5) | 0.005 (5) | −0.015 (6) |
C70 | 0.018 (5) | 0.053 (7) | 0.052 (7) | −0.002 (5) | −0.016 (5) | −0.001 (6) |
O61 | 0.021 (4) | 0.063 (5) | 0.041 (4) | 0.000 (3) | −0.002 (3) | −0.001 (4) |
O62 | 0.020 (4) | 0.053 (5) | 0.041 (4) | 0.002 (3) | 0.003 (3) | 0.010 (3) |
O63 | 0.036 (4) | 0.045 (4) | 0.035 (4) | 0.004 (3) | 0.007 (3) | 0.005 (3) |
O64 | 0.033 (4) | 0.036 (4) | 0.067 (5) | −0.004 (3) | 0.004 (4) | 0.004 (4) |
O65 | 0.040 (4) | 0.052 (5) | 0.056 (5) | −0.013 (4) | 0.007 (4) | −0.009 (4) |
C68 | 0.030 (6) | 0.054 (8) | 0.079 (9) | −0.015 (6) | 0.016 (6) | 0.009 (7) |
C71 | 0.039 (6) | 0.035 (6) | 0.054 (7) | 0.007 (5) | 0.015 (5) | −0.001 (5) |
C72 | 0.050 (8) | 0.072 (10) | 0.075 (9) | 0.001 (7) | 0.023 (7) | 0.004 (7) |
C73 | 0.057 (9) | 0.089 (12) | 0.088 (11) | −0.024 (8) | −0.023 (8) | 0.022 (9) |
C74 | 0.079 (11) | 0.072 (10) | 0.066 (9) | −0.009 (8) | −0.012 (8) | 0.013 (8) |
C75 | 0.101 (11) | 0.038 (7) | 0.059 (8) | 0.010 (7) | 0.030 (8) | 0.009 (6) |
C76 | 0.040 (7) | 0.038 (7) | 0.070 (8) | 0.011 (5) | 0.024 (6) | 0.003 (6) |
C77 | 0.053 (7) | 0.045 (7) | 0.054 (7) | −0.005 (6) | 0.026 (6) | 0.004 (6) |
C78 | 0.132 (13) | 0.035 (7) | 0.050 (8) | 0.000 (8) | 0.028 (8) | 0.010 (6) |
C79 | 0.106 (11) | 0.052 (8) | 0.041 (7) | −0.020 (8) | 0.006 (7) | −0.008 (6) |
C80 | 0.068 (9) | 0.060 (9) | 0.052 (8) | −0.011 (7) | −0.001 (6) | −0.005 (6) |
C81 | 0.082 (9) | 0.058 (8) | 0.037 (7) | 0.013 (7) | 0.018 (6) | −0.002 (6) |
C82 | 0.086 (10) | 0.038 (7) | 0.048 (7) | 0.004 (6) | 0.032 (7) | 0.015 (6) |
C83 | 0.074 (9) | 0.056 (8) | 0.048 (7) | 0.011 (7) | 0.035 (7) | −0.001 (6) |
C84 | 0.055 (8) | 0.059 (8) | 0.060 (8) | 0.003 (6) | 0.031 (6) | −0.001 (6) |
O66 | 0.032 (4) | 0.055 (5) | 0.050 (5) | 0.006 (3) | 0.019 (3) | 0.016 (4) |
O67 | 0.044 (5) | 0.069 (6) | 0.103 (7) | 0.008 (4) | 0.011 (5) | 0.045 (5) |
O68 | 0.073 (6) | 0.041 (5) | 0.036 (4) | −0.003 (4) | 0.009 (4) | −0.002 (3) |
O69 | 0.069 (5) | 0.044 (5) | 0.041 (4) | 0.004 (4) | 0.019 (4) | −0.002 (4) |
O70 | 0.067 (5) | 0.042 (5) | 0.043 (4) | 0.005 (4) | 0.020 (4) | 0.003 (4) |
O1W | 0.051 (5) | 0.051 (5) | 0.054 (5) | 0.001 (4) | 0.016 (4) | 0.001 (4) |
O2W | 0.066 (5) | 0.041 (5) | 0.047 (5) | −0.012 (4) | 0.006 (4) | 0.000 (4) |
O3W | 0.058 (5) | 0.048 (5) | 0.062 (5) | 0.000 (4) | 0.012 (4) | −0.006 (4) |
W1—O5 | 1.699 (6) | C31—C32 | 1.354 (16) |
W1—O8 | 1.886 (6) | C31—H31 | 0.950 |
W1—O10 | 1.908 (6) | C32—C33 | 1.403 (15) |
W1—O16 | 1.915 (6) | C32—H32 | 0.950 |
W1—O15 | 1.939 (6) | C33—C34 | 1.373 (14) |
W1—O1 | 2.443 (6) | C33—H33 | 0.950 |
W2—O6 | 1.686 (6) | C34—O52 | 1.363 (11) |
W2—O9 | 1.896 (6) | C35—O52 | 1.420 (13) |
W2—O12 | 1.905 (6) | C35—C36 | 1.472 (17) |
W2—O8 | 1.935 (6) | C35—H35A | 0.990 |
W2—O11 | 1.936 (6) | C35—H35B | 0.990 |
W2—O2 | 2.444 (6) | C36—O53 | 1.320 (15) |
W3—O7 | 1.688 (6) | C36—H36A | 0.990 |
W3—O14 | 1.900 (6) | C36—H36B | 0.990 |
W3—O10 | 1.904 (6) | C37—C38 | 1.453 (17) |
W3—O9 | 1.908 (6) | C37—O53 | 1.461 (15) |
W3—O13 | 1.920 (6) | C37—H37A | 0.990 |
W3—O4 | 2.444 (6) | C37—H37B | 0.990 |
W4—O28 | 1.698 (6) | C38—O54 | 1.526 (15) |
W4—O34 | 1.899 (6) | C38—H38A | 0.990 |
W4—O27 | 1.900 (6) | C38—H38B | 0.990 |
W4—O17 | 1.922 (6) | C39—O54 | 1.321 (18) |
W4—O16 | 1.928 (6) | C39—C40 | 1.470 (19) |
W4—O1 | 2.432 (6) | C39—H39A | 0.990 |
W5—O18 | 1.695 (6) | C39—H39B | 0.990 |
W5—O17 | 1.889 (6) | C40—O55 | 1.432 (17) |
W5—O11 | 1.904 (6) | C40—H40A | 0.990 |
W5—O29 | 1.915 (6) | C40—H40B | 0.990 |
W5—O19 | 1.922 (6) | C41—O55 | 1.249 (17) |
W5—O2 | 2.421 (6) | C41—C42 | 1.463 (19) |
W6—O20 | 1.686 (6) | C41—H41A | 0.990 |
W6—O30 | 1.893 (6) | C41—H41B | 0.990 |
W6—O19 | 1.909 (6) | C42—O51 | 1.467 (15) |
W6—O21 | 1.916 (6) | C42—H42A | 0.990 |
W6—O12 | 1.931 (6) | C42—H42B | 0.990 |
W6—O2 | 2.435 (6) | C43—C44 | 1.374 (14) |
W7—O22 | 1.704 (6) | C43—O56 | 1.383 (12) |
W7—O21 | 1.904 (6) | C43—C48 | 1.390 (15) |
W7—O13 | 1.911 (6) | C44—C45 | 1.403 (15) |
W7—O31 | 1.912 (6) | C44—H44 | 0.950 |
W7—O23 | 1.915 (6) | C45—C46 | 1.383 (17) |
W7—O4 | 2.447 (6) | C45—H45 | 0.950 |
W8—O24 | 1.687 (6) | C46—C47 | 1.392 (17) |
W8—O32 | 1.892 (6) | C46—H46 | 0.950 |
W8—O25 | 1.910 (6) | C47—C48 | 1.364 (16) |
W8—O23 | 1.911 (6) | C47—H47 | 0.950 |
W8—O14 | 1.928 (6) | C48—O57 | 1.390 (13) |
W8—O4 | 2.458 (6) | C49—O57 | 1.399 (13) |
W9—O26 | 1.696 (6) | C49—C50 | 1.491 (16) |
W9—O15 | 1.898 (6) | C49—H49A | 0.990 |
W9—O25 | 1.898 (6) | C49—H49B | 0.990 |
W9—O33 | 1.926 (6) | C50—O58 | 1.397 (14) |
W9—O27 | 1.929 (6) | C50—H50A | 0.990 |
W9—O1 | 2.444 (6) | C50—H50B | 0.990 |
W10—O38 | 1.697 (6) | C51—O58 | 1.391 (16) |
W10—O29 | 1.896 (6) | C51—C52 | 1.452 (19) |
W10—O35 | 1.901 (6) | C51—H51A | 0.990 |
W10—O37 | 1.906 (6) | C51—H51B | 0.990 |
W10—O34 | 1.917 (6) | C52—O59 | 1.421 (18) |
W10—O3 | 2.447 (6) | C52—H52A | 0.990 |
W11—O39 | 1.693 (6) | C52—H52B | 0.990 |
W11—O36 | 1.900 (6) | C53—O59 | 1.382 (14) |
W11—O31 | 1.904 (6) | C53—C54 | 1.494 (17) |
W11—O30 | 1.915 (6) | C53—H53A | 0.990 |
W11—O35 | 1.928 (6) | C53—H53B | 0.990 |
W11—O3 | 2.458 (6) | C54—O60 | 1.429 (13) |
W12—O40 | 1.687 (6) | C54—H54A | 0.990 |
W12—O33 | 1.889 (6) | C54—H54B | 0.990 |
W12—O37 | 1.922 (6) | C55—O60 | 1.428 (13) |
W12—O32 | 1.922 (7) | C55—C56 | 1.487 (15) |
W12—O36 | 1.930 (6) | C55—H55A | 0.990 |
W12—O3 | 2.441 (6) | C55—H55B | 0.990 |
P1—O4 | 1.517 (6) | C56—O56 | 1.427 (13) |
P1—O3 | 1.525 (6) | C56—H56A | 0.990 |
P1—O2 | 1.542 (6) | C56—H56B | 0.990 |
P1—O1 | 1.543 (6) | C57—O61 | 1.370 (11) |
C1—C6 | 1.373 (14) | C57—C58 | 1.379 (14) |
C1—O41 | 1.392 (12) | C57—C62 | 1.389 (13) |
C1—C2 | 1.394 (15) | C58—C59 | 1.400 (15) |
C2—C3 | 1.385 (16) | C58—H58 | 0.950 |
C2—H2 | 0.950 | C59—C60 | 1.355 (15) |
C3—C4 | 1.356 (15) | C59—H59 | 0.950 |
C3—H3 | 0.950 | C60—C61 | 1.405 (15) |
C4—C5 | 1.374 (15) | C60—H60 | 0.950 |
C4—H4 | 0.950 | C61—C62 | 1.386 (13) |
C5—C6 | 1.386 (14) | C61—H61 | 0.950 |
C5—H5 | 0.950 | C62—O62 | 1.359 (11) |
C6—O42 | 1.378 (12) | C63—O62 | 1.429 (11) |
C7—O42 | 1.449 (12) | C63—C64 | 1.491 (14) |
C7—C8 | 1.493 (16) | C63—H63A | 0.990 |
C7—H7A | 0.990 | C63—H63B | 0.990 |
C7—H7B | 0.990 | C64—O63 | 1.426 (12) |
C8—O43 | 1.424 (13) | C64—H64A | 0.990 |
C8—H8A | 0.990 | C64—H64B | 0.990 |
C8—H8B | 0.990 | C65—O63 | 1.425 (12) |
C9—O43 | 1.414 (13) | C65—C66 | 1.499 (15) |
C9—C10 | 1.481 (17) | C65—H65A | 0.990 |
C9—H9A | 0.990 | C65—H65B | 0.990 |
C9—H9B | 0.990 | C66—O64 | 1.422 (13) |
C10—O44 | 1.419 (14) | C66—H66A | 0.990 |
C10—H10A | 0.990 | C66—H66B | 0.990 |
C10—H10B | 0.990 | C67—O64 | 1.430 (13) |
C11—O44 | 1.425 (14) | C67—C68 | 1.501 (16) |
C11—C12 | 1.481 (17) | C67—H67A | 0.990 |
C11—H11A | 0.990 | C67—H67B | 0.990 |
C11—H11B | 0.990 | C69—O65 | 1.408 (12) |
C12—O45 | 1.408 (14) | C69—C70 | 1.487 (15) |
C12—H12A | 0.990 | C69—H69A | 0.990 |
C12—H12B | 0.990 | C69—H69B | 0.990 |
C13—O45 | 1.313 (17) | C70—O61 | 1.444 (11) |
C13—C14 | 1.550 (19) | C70—H70A | 0.990 |
C13—H13A | 0.990 | C70—H70B | 0.990 |
C13—H13B | 0.990 | O65—C68 | 1.429 (13) |
C14—O41 | 1.427 (12) | C68—H68A | 0.990 |
C14—H14A | 0.990 | C68—H68B | 0.990 |
C14—H14B | 0.990 | C71—O66 | 1.369 (12) |
C15—C20 | 1.318 (17) | C71—C76 | 1.377 (14) |
C15—C16 | 1.363 (18) | C71—C72 | 1.391 (16) |
C15—O46 | 1.378 (15) | C72—C73 | 1.398 (18) |
C16—C17 | 1.41 (2) | C72—H72 | 0.950 |
C16—H16 | 0.950 | C73—C74 | 1.355 (19) |
C17—C18 | 1.371 (19) | C73—H73 | 0.950 |
C17—H17 | 0.950 | C74—C75 | 1.374 (18) |
C18—C19 | 1.425 (18) | C74—H74 | 0.950 |
C18—H18 | 0.950 | C75—C76 | 1.405 (16) |
C19—C20 | 1.393 (18) | C75—H75 | 0.950 |
C19—H19 | 0.950 | C76—O67 | 1.369 (13) |
C20—O47 | 1.389 (14) | C77—O67 | 1.446 (13) |
C21—O47 | 1.365 (15) | C77—C78 | 1.488 (16) |
C21—C22 | 1.469 (19) | C77—H77A | 0.990 |
C21—H21A | 0.990 | C77—H77B | 0.990 |
C21—H21B | 0.990 | C78—O68 | 1.434 (14) |
C22—O48 | 1.373 (16) | C78—H78A | 0.990 |
C22—H22A | 0.990 | C78—H78B | 0.990 |
C22—H22B | 0.990 | C79—O68 | 1.462 (13) |
C23—O48 | 1.385 (17) | C79—C80 | 1.496 (17) |
C23—C24 | 1.461 (19) | C79—H79A | 0.990 |
C23—H23A | 0.990 | C79—H79B | 0.990 |
C23—H23B | 0.990 | C80—O69 | 1.436 (14) |
C24—O49 | 1.395 (18) | C80—H80A | 0.990 |
C24—H24A | 0.990 | C80—H80B | 0.990 |
C24—H24B | 0.990 | C81—O69 | 1.434 (13) |
C25—O49 | 1.38 (2) | C81—C82 | 1.480 (17) |
C25—C26 | 1.472 (19) | C81—H81A | 0.990 |
C25—H25A | 0.990 | C81—H81B | 0.990 |
C25—H25B | 0.990 | C82—O70 | 1.412 (13) |
C26—O50 | 1.433 (19) | C82—H82A | 0.990 |
C26—H26A | 0.990 | C82—H82B | 0.990 |
C26—H26B | 0.990 | C83—O70 | 1.419 (13) |
C27—O50 | 1.400 (16) | C83—C84 | 1.465 (16) |
C27—C28 | 1.513 (19) | C83—H83A | 0.990 |
C27—H27A | 0.990 | C83—H83B | 0.990 |
C27—H27B | 0.990 | C84—O66 | 1.436 (12) |
C28—O46 | 1.410 (15) | C84—H84A | 0.990 |
C28—H28A | 0.990 | C84—H84B | 0.990 |
C28—H28B | 0.990 | O71—C85 | 1.39 (3) |
C29—C30 | 1.353 (15) | O71—H71 | 0.840 |
C29—O51 | 1.382 (12) | C85—H85A | 0.980 |
C29—C34 | 1.430 (14) | C85—H85B | 0.980 |
C30—C31 | 1.379 (16) | C85—H85C | 0.980 |
C30—H30 | 0.950 | ||
O1W···O42 | 2.965 (10) | O2W···O69 | 2.780 (10) |
O1W···O43 | 2.962 (11) | O2W···O70 | 2.929 (11) |
O1W···O44 | 2.885 (10) | O3W···O51 | 2.873 (11) |
O1W···O45 | 2.913 (11) | O3W···O53 | 2.915 (12) |
O1W···O46 | 2.989 (13) | O3W···O54 | 2.914 (12) |
O1W···O48 | 2.928 (12) | O3W···O55 | 2.976 (12) |
O1W···O49 | 2.884 (13) | O3W···O58 | 2.881 (11) |
O2W···O64i | 2.801 (10) | O3W···O59 | 2.887 (11) |
O2W···O65i | 2.786 (10) | O3W···O60 | 2.974 (11) |
O2W···O67 | 2.884 (11) | O4W···O46ii | 3.07 (3) |
O2W···O68 | 2.951 (10) | ||
O5—W1—O8 | 102.7 (3) | H22A—C22—H22B | 108.1 |
O5—W1—O10 | 103.1 (3) | O48—C23—C24 | 117.9 (15) |
O8—W1—O10 | 86.3 (3) | O48—C23—H23A | 107.8 |
O5—W1—O16 | 101.9 (3) | C24—C23—H23A | 107.8 |
O8—W1—O16 | 90.1 (3) | O48—C23—H23B | 107.8 |
O10—W1—O16 | 155.0 (2) | C24—C23—H23B | 107.8 |
O5—W1—O15 | 101.2 (3) | H23A—C23—H23B | 107.2 |
O8—W1—O15 | 156.0 (2) | O49—C24—C23 | 109.7 (14) |
O10—W1—O15 | 87.0 (3) | O49—C24—H24A | 109.7 |
O16—W1—O15 | 86.3 (3) | C23—C24—H24A | 109.7 |
O5—W1—O1 | 170.2 (3) | O49—C24—H24B | 109.7 |
O8—W1—O1 | 85.1 (2) | C23—C24—H24B | 109.7 |
O10—W1—O1 | 83.2 (2) | H24A—C24—H24B | 108.2 |
O16—W1—O1 | 71.8 (2) | O49—C25—C26 | 115.4 (16) |
O15—W1—O1 | 71.2 (2) | O49—C25—H25A | 108.4 |
O6—W2—O9 | 103.3 (3) | C26—C25—H25A | 108.4 |
O6—W2—O12 | 101.5 (3) | O49—C25—H25B | 108.4 |
O9—W2—O12 | 90.8 (3) | C26—C25—H25B | 108.4 |
O6—W2—O8 | 102.7 (3) | H25A—C25—H25B | 107.5 |
O9—W2—O8 | 84.9 (3) | O50—C26—C25 | 113.1 (16) |
O12—W2—O8 | 155.9 (2) | O50—C26—H26A | 109.0 |
O6—W2—O11 | 101.6 (3) | C25—C26—H26A | 109.0 |
O9—W2—O11 | 155.0 (2) | O50—C26—H26B | 109.0 |
O12—W2—O11 | 87.0 (3) | C25—C26—H26B | 109.0 |
O8—W2—O11 | 87.0 (3) | H26A—C26—H26B | 107.8 |
O6—W2—O2 | 170.7 (3) | O50—C27—C28 | 104.3 (12) |
O9—W2—O2 | 83.9 (2) | O50—C27—H27A | 110.9 |
O12—W2—O2 | 72.2 (2) | C28—C27—H27A | 110.9 |
O8—W2—O2 | 83.7 (2) | O50—C27—H27B | 110.9 |
O11—W2—O2 | 71.8 (2) | C28—C27—H27B | 110.9 |
O7—W3—O14 | 101.7 (3) | H27A—C27—H27B | 108.9 |
O7—W3—O10 | 103.0 (3) | O46—C28—C27 | 105.9 (12) |
O14—W3—O10 | 89.5 (3) | O46—C28—H28A | 110.5 |
O7—W3—O9 | 102.7 (3) | C27—C28—H28A | 110.5 |
O14—W3—O9 | 155.6 (3) | O46—C28—H28B | 110.5 |
O10—W3—O9 | 84.9 (3) | C27—C28—H28B | 110.5 |
O7—W3—O13 | 102.0 (3) | H28A—C28—H28B | 108.7 |
O14—W3—O13 | 87.5 (3) | C15—O46—C28 | 119.7 (11) |
O10—W3—O13 | 154.9 (3) | C21—O47—C20 | 120.4 (11) |
O9—W3—O13 | 87.6 (3) | C22—O48—C23 | 119.9 (12) |
O7—W3—O4 | 171.5 (3) | C25—O49—C24 | 112.9 (12) |
O14—W3—O4 | 72.6 (2) | C27—O50—C26 | 111.5 (12) |
O10—W3—O4 | 83.5 (2) | C30—C29—O51 | 122.7 (10) |
O9—W3—O4 | 83.2 (2) | C30—C29—C34 | 120.4 (10) |
O13—W3—O4 | 71.8 (2) | O51—C29—C34 | 116.7 (9) |
O28—W4—O34 | 102.4 (3) | C29—C30—C31 | 121.4 (10) |
O28—W4—O27 | 101.6 (3) | C29—C30—H30 | 119.3 |
O34—W4—O27 | 89.7 (3) | C31—C30—H30 | 119.3 |
O28—W4—O17 | 103.6 (3) | C32—C31—C30 | 119.1 (11) |
O34—W4—O17 | 85.4 (3) | C32—C31—H31 | 120.5 |
O27—W4—O17 | 154.8 (3) | C30—C31—H31 | 120.5 |
O28—W4—O16 | 101.5 (3) | C31—C32—C33 | 121.2 (11) |
O34—W4—O16 | 156.0 (3) | C31—C32—H32 | 119.4 |
O27—W4—O16 | 87.8 (3) | C33—C32—H32 | 119.4 |
O17—W4—O16 | 86.7 (3) | C34—C33—C32 | 120.3 (10) |
O28—W4—O1 | 170.6 (3) | C34—C33—H33 | 119.9 |
O34—W4—O1 | 84.6 (2) | C32—C33—H33 | 119.9 |
O27—W4—O1 | 72.0 (2) | O52—C34—C33 | 126.0 (9) |
O17—W4—O1 | 83.0 (2) | O52—C34—C29 | 116.4 (8) |
O16—W4—O1 | 71.9 (2) | C33—C34—C29 | 117.6 (9) |
O18—W5—O17 | 102.8 (3) | O52—C35—C36 | 107.3 (10) |
O18—W5—O11 | 101.4 (3) | O52—C35—H35A | 110.3 |
O17—W5—O11 | 90.1 (3) | C36—C35—H35A | 110.3 |
O18—W5—O29 | 102.2 (3) | O52—C35—H35B | 110.3 |
O17—W5—O29 | 85.7 (3) | C36—C35—H35B | 110.3 |
O11—W5—O29 | 156.3 (3) | H35A—C35—H35B | 108.5 |
O18—W5—O19 | 101.1 (3) | O53—C36—C35 | 115.1 (12) |
O17—W5—O19 | 156.0 (3) | O53—C36—H36A | 108.5 |
O11—W5—O19 | 86.9 (3) | C35—C36—H36A | 108.5 |
O29—W5—O19 | 87.5 (3) | O53—C36—H36B | 108.5 |
O18—W5—O2 | 171.0 (3) | C35—C36—H36B | 108.5 |
O17—W5—O2 | 84.3 (2) | H36A—C36—H36B | 107.5 |
O11—W5—O2 | 72.8 (2) | C38—C37—O53 | 113.3 (11) |
O29—W5—O2 | 83.6 (2) | C38—C37—H37A | 108.9 |
O19—W5—O2 | 72.1 (2) | O53—C37—H37A | 108.9 |
O20—W6—O30 | 102.4 (3) | C38—C37—H37B | 108.9 |
O20—W6—O19 | 102.1 (3) | O53—C37—H37B | 108.9 |
O30—W6—O19 | 90.0 (3) | H37A—C37—H37B | 107.7 |
O20—W6—O21 | 102.9 (3) | C37—C38—O54 | 109.8 (11) |
O30—W6—O21 | 85.9 (3) | C37—C38—H38A | 109.7 |
O19—W6—O21 | 154.9 (2) | O54—C38—H38A | 109.7 |
O20—W6—O12 | 101.6 (3) | C37—C38—H38B | 109.7 |
O30—W6—O12 | 156.0 (3) | O54—C38—H38B | 109.7 |
O19—W6—O12 | 86.6 (3) | H38A—C38—H38B | 108.2 |
O21—W6—O12 | 87.2 (3) | O54—C39—C40 | 112.4 (15) |
O20—W6—O2 | 171.3 (2) | O54—C39—H39A | 109.1 |
O30—W6—O2 | 84.2 (2) | C40—C39—H39A | 109.1 |
O19—W6—O2 | 71.9 (2) | O54—C39—H39B | 109.1 |
O21—W6—O2 | 83.0 (2) | C40—C39—H39B | 109.1 |
O12—W6—O2 | 72.1 (2) | H39A—C39—H39B | 107.8 |
O22—W7—O21 | 103.1 (3) | O55—C40—C39 | 112.6 (14) |
O22—W7—O13 | 101.4 (3) | O55—C40—H40A | 109.1 |
O21—W7—O13 | 88.5 (3) | C39—C40—H40A | 109.1 |
O22—W7—O31 | 102.8 (3) | O55—C40—H40B | 109.1 |
O21—W7—O31 | 86.1 (3) | C39—C40—H40B | 109.1 |
O13—W7—O31 | 155.8 (3) | H40A—C40—H40B | 107.8 |
O22—W7—O23 | 101.8 (3) | O55—C41—C42 | 117.5 (14) |
O21—W7—O23 | 155.1 (3) | O55—C41—H41A | 107.9 |
O13—W7—O23 | 87.4 (3) | C42—C41—H41A | 107.9 |
O31—W7—O23 | 87.7 (3) | O55—C41—H41B | 107.9 |
O22—W7—O4 | 170.8 (3) | C42—C41—H41B | 107.9 |
O21—W7—O4 | 83.4 (2) | H41A—C41—H41B | 107.2 |
O13—W7—O4 | 71.9 (2) | C41—C42—O51 | 112.7 (12) |
O31—W7—O4 | 84.0 (2) | C41—C42—H42A | 109.0 |
O23—W7—O4 | 72.0 (2) | O51—C42—H42A | 109.0 |
O24—W8—O32 | 103.1 (3) | C41—C42—H42B | 109.0 |
O24—W8—O25 | 102.9 (3) | O51—C42—H42B | 109.0 |
O32—W8—O25 | 85.1 (3) | H42A—C42—H42B | 107.8 |
O24—W8—O23 | 102.6 (3) | C29—O51—C42 | 113.8 (8) |
O32—W8—O23 | 89.3 (3) | C34—O52—C35 | 116.6 (8) |
O25—W8—O23 | 154.4 (3) | C36—O53—C37 | 115.3 (11) |
O24—W8—O14 | 101.9 (3) | C39—O54—C38 | 112.9 (11) |
O32—W8—O14 | 154.9 (3) | C41—O55—C40 | 123.9 (13) |
O25—W8—O14 | 87.4 (3) | C44—C43—O56 | 125.1 (10) |
O23—W8—O14 | 87.3 (2) | C44—C43—C48 | 120.5 (10) |
O24—W8—O4 | 171.5 (3) | O56—C43—C48 | 114.4 (9) |
O32—W8—O4 | 83.5 (2) | C43—C44—C45 | 119.2 (11) |
O25—W8—O4 | 82.8 (2) | C43—C44—H44 | 120.4 |
O23—W8—O4 | 71.8 (2) | C45—C44—H44 | 120.4 |
O14—W8—O4 | 71.8 (2) | C46—C45—C44 | 120.3 (11) |
O26—W9—O15 | 101.7 (3) | C46—C45—H45 | 119.9 |
O26—W9—O25 | 103.4 (3) | C44—C45—H45 | 119.9 |
O15—W9—O25 | 90.0 (3) | C45—C46—C47 | 119.4 (12) |
O26—W9—O33 | 103.6 (3) | C45—C46—H46 | 120.3 |
O15—W9—O33 | 154.7 (3) | C47—C46—H46 | 120.3 |
O25—W9—O33 | 85.7 (3) | C48—C47—C46 | 120.5 (12) |
O26—W9—O27 | 101.8 (3) | C48—C47—H47 | 119.8 |
O15—W9—O27 | 87.3 (3) | C46—C47—H47 | 119.8 |
O25—W9—O27 | 154.7 (3) | C47—C48—C43 | 120.2 (11) |
O33—W9—O27 | 86.0 (3) | C47—C48—O57 | 126.5 (11) |
O26—W9—O1 | 170.3 (3) | C43—C48—O57 | 113.4 (10) |
O15—W9—O1 | 71.8 (2) | O57—C49—C50 | 105.6 (11) |
O25—W9—O1 | 84.0 (2) | O57—C49—H49A | 110.6 |
O33—W9—O1 | 83.0 (2) | C50—C49—H49A | 110.6 |
O27—W9—O1 | 71.2 (2) | O57—C49—H49B | 110.6 |
O38—W10—O29 | 103.2 (3) | C50—C49—H49B | 110.6 |
O38—W10—O35 | 101.7 (3) | H49A—C49—H49B | 108.8 |
O29—W10—O35 | 89.5 (3) | O58—C50—C49 | 110.0 (10) |
O38—W10—O37 | 101.9 (3) | O58—C50—H50A | 109.7 |
O29—W10—O37 | 154.8 (3) | C49—C50—H50A | 109.7 |
O35—W10—O37 | 87.5 (3) | O58—C50—H50B | 109.7 |
O38—W10—O34 | 102.7 (3) | C49—C50—H50B | 109.7 |
O29—W10—O34 | 85.3 (3) | H50A—C50—H50B | 108.2 |
O35—W10—O34 | 155.6 (3) | O58—C51—C52 | 114.9 (14) |
O37—W10—O34 | 87.2 (3) | O58—C51—H51A | 108.5 |
O38—W10—O3 | 171.3 (3) | C52—C51—H51A | 108.5 |
O29—W10—O3 | 83.5 (2) | O58—C51—H51B | 108.5 |
O35—W10—O3 | 72.5 (2) | C52—C51—H51B | 108.5 |
O37—W10—O3 | 71.7 (2) | H51A—C51—H51B | 107.5 |
O34—W10—O3 | 83.2 (2) | O59—C52—C51 | 118.4 (15) |
O39—W11—O36 | 102.7 (3) | O59—C52—H52A | 107.7 |
O39—W11—O31 | 103.0 (3) | C51—C52—H52A | 107.7 |
O36—W11—O31 | 89.3 (3) | O59—C52—H52B | 107.7 |
O39—W11—O30 | 102.6 (3) | C51—C52—H52B | 107.7 |
O36—W11—O30 | 154.6 (3) | H52A—C52—H52B | 107.1 |
O31—W11—O30 | 85.9 (3) | O59—C53—C54 | 108.4 (9) |
O39—W11—O35 | 101.3 (3) | O59—C53—H53A | 110.0 |
O36—W11—O35 | 87.2 (3) | C54—C53—H53A | 110.0 |
O31—W11—O35 | 155.6 (3) | O59—C53—H53B | 110.0 |
O30—W11—O35 | 87.0 (3) | C54—C53—H53B | 110.0 |
O39—W11—O3 | 171.2 (3) | H53A—C53—H53B | 108.4 |
O36—W11—O3 | 71.9 (2) | O60—C54—C53 | 112.4 (10) |
O31—W11—O3 | 84.1 (2) | O60—C54—H54A | 109.1 |
O30—W11—O3 | 82.9 (2) | C53—C54—H54A | 109.1 |
O35—W11—O3 | 71.8 (2) | O60—C54—H54B | 109.1 |
O40—W12—O33 | 103.1 (3) | C53—C54—H54B | 109.1 |
O40—W12—O37 | 100.5 (3) | H54A—C54—H54B | 107.8 |
O33—W12—O37 | 89.7 (3) | O60—C55—C56 | 107.6 (9) |
O40—W12—O32 | 104.1 (3) | O60—C55—H55A | 110.2 |
O33—W12—O32 | 85.5 (3) | C56—C55—H55A | 110.2 |
O37—W12—O32 | 155.5 (3) | O60—C55—H55B | 110.2 |
O40—W12—O36 | 101.1 (3) | C56—C55—H55B | 110.2 |
O33—W12—O36 | 155.8 (3) | H55A—C55—H55B | 108.5 |
O37—W12—O36 | 86.4 (3) | O56—C56—C55 | 106.7 (9) |
O32—W12—O36 | 88.3 (3) | O56—C56—H56A | 110.4 |
O40—W12—O3 | 169.3 (3) | C55—C56—H56A | 110.4 |
O33—W12—O3 | 84.3 (2) | O56—C56—H56B | 110.4 |
O37—W12—O3 | 71.6 (2) | C55—C56—H56B | 110.4 |
O32—W12—O3 | 83.9 (2) | H56A—C56—H56B | 108.6 |
O36—W12—O3 | 71.8 (2) | C43—O56—C56 | 118.0 (8) |
O4—P1—O3 | 109.9 (3) | C48—O57—C49 | 118.5 (10) |
O4—P1—O2 | 109.9 (3) | C51—O58—C50 | 110.3 (10) |
O3—P1—O2 | 109.1 (3) | C53—O59—C52 | 118.6 (12) |
O4—P1—O1 | 109.6 (3) | C55—O60—C54 | 113.9 (9) |
O3—P1—O1 | 109.0 (3) | O61—C57—C58 | 125.4 (9) |
O2—P1—O1 | 109.3 (3) | O61—C57—C62 | 115.0 (8) |
P1—O1—W4 | 126.1 (3) | C58—C57—C62 | 119.5 (9) |
P1—O1—W1 | 125.2 (3) | C57—C58—C59 | 119.9 (10) |
W4—O1—W1 | 89.56 (18) | C57—C58—H58 | 120.1 |
P1—O1—W9 | 125.7 (3) | C59—C58—H58 | 120.1 |
W4—O1—W9 | 89.38 (19) | C60—C59—C58 | 121.1 (11) |
W1—O1—W9 | 89.49 (19) | C60—C59—H59 | 119.5 |
P1—O2—W5 | 125.9 (3) | C58—C59—H59 | 119.5 |
P1—O2—W6 | 125.5 (3) | C59—C60—C61 | 119.4 (11) |
W5—O2—W6 | 89.54 (18) | C59—C60—H60 | 120.3 |
P1—O2—W2 | 125.7 (3) | C61—C60—H60 | 120.3 |
W5—O2—W2 | 89.39 (18) | C62—C61—C60 | 119.9 (10) |
W6—O2—W2 | 89.17 (19) | C62—C61—H61 | 120.0 |
P1—O3—W12 | 125.6 (3) | C60—C61—H61 | 120.0 |
P1—O3—W10 | 126.7 (3) | O62—C62—C61 | 124.8 (9) |
W12—O3—W10 | 89.19 (19) | O62—C62—C57 | 115.0 (8) |
P1—O3—W11 | 125.8 (3) | C61—C62—C57 | 120.2 (9) |
W12—O3—W11 | 88.95 (18) | O62—C63—C64 | 106.5 (8) |
W10—O3—W11 | 88.63 (18) | O62—C63—H63A | 110.4 |
P1—O4—W3 | 126.1 (3) | C64—C63—H63A | 110.4 |
P1—O4—W7 | 125.8 (3) | O62—C63—H63B | 110.4 |
W3—O4—W7 | 89.0 (2) | C64—C63—H63B | 110.4 |
P1—O4—W8 | 126.5 (3) | H63A—C63—H63B | 108.6 |
W3—O4—W8 | 88.61 (19) | O63—C64—C63 | 108.1 (9) |
W7—O4—W8 | 88.72 (19) | O63—C64—H64A | 110.1 |
W1—O8—W2 | 150.5 (3) | C63—C64—H64A | 110.1 |
W2—O9—W3 | 153.1 (3) | O63—C64—H64B | 110.1 |
W3—O10—W1 | 151.5 (3) | C63—C64—H64B | 110.1 |
W5—O11—W2 | 126.0 (3) | H64A—C64—H64B | 108.4 |
W2—O12—W6 | 126.5 (3) | O63—C65—C66 | 113.2 (8) |
W7—O13—W3 | 127.0 (3) | O63—C65—H65A | 108.9 |
W3—O14—W8 | 126.9 (3) | C66—C65—H65A | 108.9 |
W9—O15—W1 | 127.4 (3) | O63—C65—H65B | 108.9 |
W1—O16—W4 | 126.6 (3) | C66—C65—H65B | 108.9 |
W5—O17—W4 | 151.5 (3) | H65A—C65—H65B | 107.8 |
W6—O19—W5 | 126.4 (3) | O64—C66—C65 | 109.0 (9) |
W7—O21—W6 | 151.4 (3) | O64—C66—H66A | 109.9 |
W8—O23—W7 | 127.3 (3) | C65—C66—H66A | 109.9 |
W9—O25—W8 | 152.1 (3) | O64—C66—H66B | 109.9 |
W4—O27—W9 | 127.2 (3) | C65—C66—H66B | 109.9 |
W10—O29—W5 | 151.7 (3) | H66A—C66—H66B | 108.3 |
W6—O30—W11 | 151.7 (4) | O64—C67—C68 | 108.3 (10) |
W11—O31—W7 | 150.8 (3) | O64—C67—H67A | 110.0 |
W8—O32—W12 | 152.0 (3) | C68—C67—H67A | 110.0 |
W12—O33—W9 | 151.1 (3) | O64—C67—H67B | 110.0 |
W4—O34—W10 | 151.6 (4) | C68—C67—H67B | 110.0 |
W10—O35—W11 | 127.0 (3) | H67A—C67—H67B | 108.4 |
W11—O36—W12 | 127.3 (3) | O65—C69—C70 | 109.0 (8) |
W10—O37—W12 | 127.4 (3) | O65—C69—H69A | 109.9 |
C6—C1—O41 | 114.7 (9) | C70—C69—H69A | 109.9 |
C6—C1—C2 | 121.1 (10) | O65—C69—H69B | 109.9 |
O41—C1—C2 | 124.2 (9) | C70—C69—H69B | 109.9 |
C3—C2—C1 | 118.1 (10) | H69A—C69—H69B | 108.3 |
C3—C2—H2 | 120.9 | O61—C70—C69 | 105.8 (8) |
C1—C2—H2 | 120.9 | O61—C70—H70A | 110.6 |
C4—C3—C2 | 121.4 (11) | C69—C70—H70A | 110.6 |
C4—C3—H3 | 119.3 | O61—C70—H70B | 110.6 |
C2—C3—H3 | 119.3 | C69—C70—H70B | 110.6 |
C3—C4—C5 | 119.8 (11) | H70A—C70—H70B | 108.7 |
C3—C4—H4 | 120.1 | C57—O61—C70 | 120.0 (8) |
C5—C4—H4 | 120.1 | C62—O62—C63 | 118.6 (7) |
C4—C5—C6 | 120.7 (10) | C65—O63—C64 | 113.7 (8) |
C4—C5—H5 | 119.7 | C66—O64—C67 | 112.2 (9) |
C6—C5—H5 | 119.7 | C69—O65—C68 | 116.1 (9) |
C1—C6—O42 | 119.5 (9) | O65—C68—C67 | 113.6 (9) |
C1—C6—C5 | 118.9 (10) | O65—C68—H68A | 108.8 |
O42—C6—C5 | 121.6 (9) | C67—C68—H68A | 108.8 |
O42—C7—C8 | 112.2 (9) | O65—C68—H68B | 108.8 |
O42—C7—H7A | 109.2 | C67—C68—H68B | 108.8 |
C8—C7—H7A | 109.2 | H68A—C68—H68B | 107.7 |
O42—C7—H7B | 109.2 | O66—C71—C76 | 116.1 (9) |
C8—C7—H7B | 109.2 | O66—C71—C72 | 125.6 (10) |
H7A—C7—H7B | 107.9 | C76—C71—C72 | 118.3 (11) |
O43—C8—C7 | 107.7 (9) | C71—C72—C73 | 120.0 (12) |
O43—C8—H8A | 110.2 | C71—C72—H72 | 120.0 |
C7—C8—H8A | 110.2 | C73—C72—H72 | 120.0 |
O43—C8—H8B | 110.2 | C74—C73—C72 | 121.6 (13) |
C7—C8—H8B | 110.2 | C74—C73—H73 | 119.2 |
H8A—C8—H8B | 108.5 | C72—C73—H73 | 119.2 |
O43—C9—C10 | 109.4 (10) | C73—C74—C75 | 119.0 (13) |
O43—C9—H9A | 109.8 | C73—C74—H74 | 120.5 |
C10—C9—H9A | 109.8 | C75—C74—H74 | 120.5 |
O43—C9—H9B | 109.8 | C74—C75—C76 | 120.4 (13) |
C10—C9—H9B | 109.8 | C74—C75—H75 | 119.8 |
H9A—C9—H9B | 108.2 | C76—C75—H75 | 119.8 |
O44—C10—C9 | 113.0 (10) | O67—C76—C71 | 117.5 (10) |
O44—C10—H10A | 109.0 | O67—C76—C75 | 121.1 (11) |
C9—C10—H10A | 109.0 | C71—C76—C75 | 120.7 (11) |
O44—C10—H10B | 109.0 | O67—C77—C78 | 109.9 (9) |
C9—C10—H10B | 109.0 | O67—C77—H77A | 109.7 |
H10A—C10—H10B | 107.8 | C78—C77—H77A | 109.7 |
O44—C11—C12 | 109.8 (10) | O67—C77—H77B | 109.7 |
O44—C11—H11A | 109.7 | C78—C77—H77B | 109.7 |
C12—C11—H11A | 109.7 | H77A—C77—H77B | 108.2 |
O44—C11—H11B | 109.7 | O68—C78—C77 | 108.5 (10) |
C12—C11—H11B | 109.7 | O68—C78—H78A | 110.0 |
H11A—C11—H11B | 108.2 | C77—C78—H78A | 110.0 |
O45—C12—C11 | 116.7 (11) | O68—C78—H78B | 110.0 |
O45—C12—H12A | 108.1 | C77—C78—H78B | 110.0 |
C11—C12—H12A | 108.1 | H78A—C78—H78B | 108.4 |
O45—C12—H12B | 108.1 | O68—C79—C80 | 107.4 (10) |
C11—C12—H12B | 108.1 | O68—C79—H79A | 110.2 |
H12A—C12—H12B | 107.3 | C80—C79—H79A | 110.2 |
O45—C13—C14 | 112.9 (13) | O68—C79—H79B | 110.2 |
O45—C13—H13A | 109.0 | C80—C79—H79B | 110.2 |
C14—C13—H13A | 109.0 | H79A—C79—H79B | 108.5 |
O45—C13—H13B | 109.0 | O69—C80—C79 | 114.3 (11) |
C14—C13—H13B | 109.0 | O69—C80—H80A | 108.7 |
H13A—C13—H13B | 107.8 | C79—C80—H80A | 108.7 |
O41—C14—C13 | 106.2 (11) | O69—C80—H80B | 108.7 |
O41—C14—H14A | 110.5 | C79—C80—H80B | 108.7 |
C13—C14—H14A | 110.5 | H80A—C80—H80B | 107.6 |
O41—C14—H14B | 110.5 | O69—C81—C82 | 108.0 (10) |
C13—C14—H14B | 110.5 | O69—C81—H81A | 110.1 |
H14A—C14—H14B | 108.7 | C82—C81—H81A | 110.1 |
C1—O41—C14 | 117.5 (8) | O69—C81—H81B | 110.1 |
C6—O42—C7 | 116.1 (8) | C82—C81—H81B | 110.1 |
C9—O43—C8 | 113.4 (9) | H81A—C81—H81B | 108.4 |
C10—O44—C11 | 113.5 (9) | O70—C82—C81 | 113.3 (9) |
C13—O45—C12 | 112.5 (12) | O70—C82—H82A | 108.9 |
C20—C15—C16 | 122.1 (12) | C81—C82—H82A | 108.9 |
C20—C15—O46 | 116.8 (11) | O70—C82—H82B | 108.9 |
C16—C15—O46 | 120.8 (12) | C81—C82—H82B | 108.9 |
C15—C16—C17 | 118.0 (13) | H82A—C82—H82B | 107.7 |
C15—C16—H16 | 121.0 | O70—C83—C84 | 111.5 (9) |
C17—C16—H16 | 121.0 | O70—C83—H83A | 109.3 |
C18—C17—C16 | 122.0 (15) | C84—C83—H83A | 109.3 |
C18—C17—H17 | 119.0 | O70—C83—H83B | 109.3 |
C16—C17—H17 | 119.0 | C84—C83—H83B | 109.3 |
C17—C18—C19 | 116.9 (14) | H83A—C83—H83B | 108.0 |
C17—C18—H18 | 121.5 | O66—C84—C83 | 107.2 (10) |
C19—C18—H18 | 121.5 | O66—C84—H84A | 110.3 |
C20—C19—C18 | 119.6 (13) | C83—C84—H84A | 110.3 |
C20—C19—H19 | 120.2 | O66—C84—H84B | 110.3 |
C18—C19—H19 | 120.2 | C83—C84—H84B | 110.3 |
C15—C20—O47 | 116.7 (12) | H84A—C84—H84B | 108.5 |
C15—C20—C19 | 121.2 (12) | C71—O66—C84 | 118.8 (8) |
O47—C20—C19 | 121.7 (12) | C76—O67—C77 | 120.4 (9) |
O47—C21—C22 | 110.3 (12) | C78—O68—C79 | 111.7 (9) |
O47—C21—H21A | 109.6 | C81—O69—C80 | 115.8 (9) |
C22—C21—H21A | 109.6 | C82—O70—C83 | 113.4 (8) |
O47—C21—H21B | 109.6 | C85—O71—H71 | 109.5 |
C22—C21—H21B | 109.6 | O71—C85—H85A | 109.5 |
H21A—C21—H21B | 108.1 | O71—C85—H85B | 109.5 |
O48—C22—C21 | 110.8 (13) | H85A—C85—H85B | 109.5 |
O48—C22—H22A | 109.5 | O71—C85—H85C | 109.5 |
C21—C22—H22A | 109.5 | H85A—C85—H85C | 109.5 |
O48—C22—H22B | 109.5 | H85B—C85—H85C | 109.5 |
C21—C22—H22B | 109.5 | ||
O4—P1—O1—W4 | 178.8 (3) | O22—W7—O21—W6 | −129.0 (7) |
O3—P1—O1—W4 | 58.5 (5) | O13—W7—O21—W6 | 129.6 (7) |
O2—P1—O1—W4 | −60.7 (5) | O31—W7—O21—W6 | −26.8 (7) |
O4—P1—O1—W1 | −61.1 (5) | O23—W7—O21—W6 | 49.1 (11) |
O3—P1—O1—W1 | 178.6 (3) | O4—W7—O21—W6 | 57.6 (7) |
O2—P1—O1—W1 | 59.4 (5) | O20—W6—O21—W7 | 128.1 (7) |
O4—P1—O1—W9 | 58.4 (5) | O30—W6—O21—W7 | 26.3 (7) |
O3—P1—O1—W9 | −61.9 (5) | O19—W6—O21—W7 | −54.9 (11) |
O2—P1—O1—W9 | 178.9 (3) | O12—W6—O21—W7 | −130.7 (7) |
O34—W4—O1—P1 | −41.5 (4) | O2—W6—O21—W7 | −58.4 (7) |
O27—W4—O1—P1 | −132.9 (4) | O24—W8—O23—W7 | 169.9 (4) |
O17—W4—O1—P1 | 44.5 (4) | O32—W8—O23—W7 | −86.9 (4) |
O16—W4—O1—P1 | 133.4 (4) | O25—W8—O23—W7 | −9.9 (8) |
O34—W4—O1—W1 | −176.5 (2) | O14—W8—O23—W7 | 68.3 (4) |
O27—W4—O1—W1 | 92.1 (2) | O4—W8—O23—W7 | −3.5 (3) |
O17—W4—O1—W1 | −90.4 (2) | O22—W7—O23—W8 | −169.5 (4) |
O16—W4—O1—W1 | −1.6 (2) | O21—W7—O23—W8 | 12.4 (9) |
O34—W4—O1—W9 | 94.0 (2) | O13—W7—O23—W8 | −68.4 (4) |
O27—W4—O1—W9 | 2.6 (2) | O31—W7—O23—W8 | 87.9 (4) |
O17—W4—O1—W9 | −179.9 (2) | O4—W7—O23—W8 | 3.5 (3) |
O16—W4—O1—W9 | −91.1 (2) | O26—W9—O25—W8 | −130.2 (7) |
O8—W1—O1—P1 | −42.3 (4) | O15—W9—O25—W8 | 127.8 (7) |
O10—W1—O1—P1 | 44.6 (4) | O33—W9—O25—W8 | −27.2 (7) |
O16—W1—O1—P1 | −134.0 (4) | O27—W9—O25—W8 | 44.0 (11) |
O15—W1—O1—P1 | 133.8 (4) | O1—W9—O25—W8 | 56.2 (7) |
O8—W1—O1—W4 | 93.3 (2) | O24—W8—O25—W9 | 129.8 (7) |
O10—W1—O1—W4 | −179.8 (2) | O32—W8—O25—W9 | 27.5 (7) |
O16—W1—O1—W4 | 1.6 (2) | O23—W8—O25—W9 | −50.4 (11) |
O15—W1—O1—W4 | −90.6 (2) | O14—W8—O25—W9 | −128.5 (7) |
O8—W1—O1—W9 | −177.3 (2) | O4—W8—O25—W9 | −56.5 (7) |
O10—W1—O1—W9 | −90.4 (2) | O28—W4—O27—W9 | 168.8 (4) |
O16—W1—O1—W9 | 91.0 (2) | O34—W4—O27—W9 | −88.6 (4) |
O15—W1—O1—W9 | −1.2 (2) | O17—W4—O27—W9 | −10.2 (8) |
O15—W9—O1—P1 | −133.4 (4) | O16—W4—O27—W9 | 67.5 (4) |
O25—W9—O1—P1 | −41.3 (4) | O1—W4—O27—W9 | −4.2 (3) |
O33—W9—O1—P1 | 45.1 (4) | O26—W9—O27—W4 | −168.9 (4) |
O27—W9—O1—P1 | 133.2 (4) | O15—W9—O27—W4 | −67.5 (4) |
O15—W9—O1—W4 | 90.8 (2) | O25—W9—O27—W4 | 16.9 (8) |
O25—W9—O1—W4 | −177.2 (2) | O33—W9—O27—W4 | 88.1 (4) |
O33—W9—O1—W4 | −90.8 (2) | O1—W9—O27—W4 | 4.2 (3) |
O27—W9—O1—W4 | −2.6 (2) | O38—W10—O29—W5 | −130.6 (8) |
O15—W9—O1—W1 | 1.3 (2) | O35—W10—O29—W5 | 127.4 (8) |
O25—W9—O1—W1 | 93.3 (2) | O37—W10—O29—W5 | 44.4 (11) |
O33—W9—O1—W1 | 179.7 (2) | O34—W10—O29—W5 | −28.7 (8) |
O27—W9—O1—W1 | −92.2 (2) | O3—W10—O29—W5 | 55.0 (8) |
O4—P1—O2—W5 | 178.8 (3) | O18—W5—O29—W10 | 130.6 (8) |
O3—P1—O2—W5 | −60.5 (5) | O17—W5—O29—W10 | 28.4 (8) |
O1—P1—O2—W5 | 58.6 (5) | O11—W5—O29—W10 | −52.2 (11) |
O4—P1—O2—W6 | −60.9 (5) | O19—W5—O29—W10 | −128.6 (8) |
O3—P1—O2—W6 | 59.8 (5) | O2—W5—O29—W10 | −56.3 (8) |
O1—P1—O2—W6 | 178.8 (3) | O20—W6—O30—W11 | −129.7 (8) |
O4—P1—O2—W2 | 58.5 (5) | O19—W6—O30—W11 | 127.9 (8) |
O3—P1—O2—W2 | 179.2 (3) | O21—W6—O30—W11 | −27.3 (8) |
O1—P1—O2—W2 | −61.7 (5) | O12—W6—O30—W11 | 46.4 (12) |
O17—W5—O2—P1 | −41.8 (4) | O2—W6—O30—W11 | 56.1 (8) |
O11—W5—O2—P1 | −133.7 (4) | O39—W11—O30—W6 | 130.6 (8) |
O29—W5—O2—P1 | 44.5 (4) | O36—W11—O30—W6 | −51.5 (12) |
O19—W5—O2—P1 | 133.9 (4) | O31—W11—O30—W6 | 28.1 (8) |
O17—W5—O2—W6 | −177.1 (2) | O35—W11—O30—W6 | −128.5 (8) |
O11—W5—O2—W6 | 90.9 (2) | O3—W11—O30—W6 | −56.5 (8) |
O29—W5—O2—W6 | −90.8 (2) | O39—W11—O31—W7 | −131.0 (7) |
O19—W5—O2—W6 | −1.4 (2) | O36—W11—O31—W7 | 126.1 (7) |
O17—W5—O2—W2 | 93.7 (2) | O30—W11—O31—W7 | −29.0 (7) |
O11—W5—O2—W2 | 1.8 (2) | O35—W11—O31—W7 | 44.5 (11) |
O29—W5—O2—W2 | −180.0 (2) | O3—W11—O31—W7 | 54.2 (7) |
O19—W5—O2—W2 | −90.6 (2) | O22—W7—O31—W11 | 131.4 (7) |
O30—W6—O2—P1 | −42.3 (4) | O21—W7—O31—W11 | 28.8 (7) |
O19—W6—O2—P1 | −134.2 (5) | O13—W7—O31—W11 | −48.7 (11) |
O21—W6—O2—P1 | 44.2 (4) | O23—W7—O31—W11 | −127.1 (7) |
O12—W6—O2—P1 | 133.5 (5) | O4—W7—O31—W11 | −54.9 (7) |
O30—W6—O2—W5 | 93.3 (2) | O24—W8—O32—W12 | −131.7 (8) |
O19—W6—O2—W5 | 1.4 (2) | O25—W8—O32—W12 | −29.6 (8) |
O21—W6—O2—W5 | 179.9 (2) | O23—W8—O32—W12 | 125.5 (8) |
O12—W6—O2—W5 | −90.8 (2) | O14—W8—O32—W12 | 43.4 (12) |
O30—W6—O2—W2 | −177.3 (2) | O4—W8—O32—W12 | 53.7 (8) |
O19—W6—O2—W2 | 90.8 (2) | O40—W12—O32—W8 | 132.6 (8) |
O21—W6—O2—W2 | −90.8 (2) | O33—W12—O32—W8 | 30.1 (8) |
O12—W6—O2—W2 | −1.4 (2) | O37—W12—O32—W8 | −49.0 (12) |
O9—W2—O2—P1 | −40.5 (4) | O36—W12—O32—W8 | −126.5 (8) |
O12—W2—O2—P1 | −133.4 (5) | O3—W12—O32—W8 | −54.6 (8) |
O8—W2—O2—P1 | 45.0 (4) | O40—W12—O33—W9 | −131.8 (7) |
O11—W2—O2—P1 | 133.9 (5) | O37—W12—O33—W9 | 127.6 (8) |
O9—W2—O2—W5 | −176.2 (2) | O32—W12—O33—W9 | −28.3 (7) |
O12—W2—O2—W5 | 91.0 (2) | O36—W12—O33—W9 | 47.2 (11) |
O8—W2—O2—W5 | −90.7 (2) | O3—W12—O33—W9 | 56.0 (7) |
O11—W2—O2—W5 | −1.7 (2) | O26—W9—O33—W12 | 130.5 (7) |
O9—W2—O2—W6 | 94.3 (2) | O15—W9—O33—W12 | −53.2 (11) |
O12—W2—O2—W6 | 1.5 (2) | O25—W9—O33—W12 | 27.8 (7) |
O8—W2—O2—W6 | 179.8 (2) | O27—W9—O33—W12 | −128.3 (8) |
O11—W2—O2—W6 | −91.3 (2) | O1—W9—O33—W12 | −56.7 (7) |
O4—P1—O3—W12 | −60.1 (5) | O28—W4—O34—W10 | −132.5 (8) |
O2—P1—O3—W12 | 179.3 (3) | O27—W4—O34—W10 | 125.7 (8) |
O1—P1—O3—W12 | 60.0 (5) | O17—W4—O34—W10 | −29.6 (8) |
O4—P1—O3—W10 | 179.2 (3) | O16—W4—O34—W10 | 41.7 (12) |
O2—P1—O3—W10 | 58.6 (5) | O1—W4—O34—W10 | 53.7 (8) |
O1—P1—O3—W10 | −60.7 (5) | O38—W10—O34—W4 | 132.3 (8) |
O4—P1—O3—W11 | 59.1 (5) | O29—W10—O34—W4 | 29.7 (8) |
O2—P1—O3—W11 | −61.5 (5) | O35—W10—O34—W4 | −48.7 (12) |
O1—P1—O3—W11 | 179.2 (3) | O37—W10—O34—W4 | −126.2 (8) |
O40—W12—O3—P1 | −177.3 (13) | O3—W10—O34—W4 | −54.2 (8) |
O33—W12—O3—P1 | −42.9 (4) | O38—W10—O35—W11 | 169.7 (4) |
O37—W12—O3—P1 | −134.5 (5) | O29—W10—O35—W11 | −86.9 (4) |
O32—W12—O3—P1 | 43.1 (4) | O37—W10—O35—W11 | 68.1 (4) |
O36—W12—O3—P1 | 133.3 (5) | O34—W10—O35—W11 | −9.4 (8) |
O40—W12—O3—W10 | −41.0 (15) | O3—W10—O35—W11 | −3.6 (3) |
O33—W12—O3—W10 | 93.5 (2) | O39—W11—O35—W10 | −170.7 (4) |
O37—W12—O3—W10 | 2.0 (2) | O36—W11—O35—W10 | −68.3 (4) |
O32—W12—O3—W10 | 179.6 (2) | O31—W11—O35—W10 | 13.7 (8) |
O36—W12—O3—W10 | −90.3 (2) | O30—W11—O35—W10 | 87.0 (4) |
O40—W12—O3—W11 | 47.7 (15) | O3—W11—O35—W10 | 3.6 (3) |
O33—W12—O3—W11 | −177.8 (2) | O39—W11—O36—W12 | 170.1 (4) |
O37—W12—O3—W11 | 90.6 (2) | O31—W11—O36—W12 | −86.7 (4) |
O32—W12—O3—W11 | −91.8 (2) | O30—W11—O36—W12 | −7.8 (9) |
O36—W12—O3—W11 | −1.6 (2) | O35—W11—O36—W12 | 69.1 (4) |
O29—W10—O3—P1 | −41.6 (4) | O3—W11—O36—W12 | −2.6 (3) |
O35—W10—O3—P1 | −133.2 (4) | O40—W12—O36—W11 | −169.1 (4) |
O37—W10—O3—P1 | 133.6 (5) | O33—W12—O36—W11 | 11.9 (9) |
O34—W10—O3—P1 | 44.4 (4) | O37—W12—O36—W11 | −69.2 (4) |
O29—W10—O3—W12 | −177.2 (2) | O32—W12—O36—W11 | 86.8 (4) |
O35—W10—O3—W12 | 91.2 (2) | O3—W12—O36—W11 | 2.7 (3) |
O37—W10—O3—W12 | −2.0 (2) | O38—W10—O37—W12 | −170.7 (4) |
O34—W10—O3—W12 | −91.2 (2) | O29—W10—O37—W12 | 14.3 (8) |
O29—W10—O3—W11 | 93.8 (2) | O35—W10—O37—W12 | −69.2 (4) |
O35—W10—O3—W11 | 2.2 (2) | O34—W10—O37—W12 | 86.9 (4) |
O37—W10—O3—W11 | −90.9 (2) | O3—W10—O37—W12 | 3.2 (3) |
O34—W10—O3—W11 | 179.8 (2) | O40—W12—O37—W10 | 169.5 (4) |
O36—W11—O3—P1 | −133.1 (4) | O33—W12—O37—W10 | −87.2 (4) |
O31—W11—O3—P1 | −41.9 (4) | O32—W12—O37—W10 | −8.9 (9) |
O30—W11—O3—P1 | 44.7 (4) | O36—W12—O37—W10 | 68.9 (4) |
O35—W11—O3—P1 | 133.8 (4) | O3—W12—O37—W10 | −3.2 (3) |
O36—W11—O3—W12 | 1.7 (2) | C6—C1—C2—C3 | 0.2 (18) |
O31—W11—O3—W12 | 92.8 (2) | O41—C1—C2—C3 | −178.9 (11) |
O30—W11—O3—W12 | 179.4 (2) | C1—C2—C3—C4 | −0.5 (19) |
O35—W11—O3—W12 | −91.4 (2) | C2—C3—C4—C5 | 0.3 (18) |
O36—W11—O3—W10 | 90.9 (2) | C3—C4—C5—C6 | 0.2 (17) |
O31—W11—O3—W10 | −178.0 (2) | O41—C1—C6—O42 | −4.0 (15) |
O30—W11—O3—W10 | −91.4 (2) | C2—C1—C6—O42 | 176.7 (10) |
O35—W11—O3—W10 | −2.2 (2) | O41—C1—C6—C5 | 179.5 (10) |
O3—P1—O4—W3 | 179.4 (3) | C2—C1—C6—C5 | 0.3 (17) |
O2—P1—O4—W3 | −60.4 (5) | C4—C5—C6—C1 | −0.5 (16) |
O1—P1—O4—W3 | 59.7 (5) | C4—C5—C6—O42 | −176.9 (10) |
O3—P1—O4—W7 | −60.6 (5) | O42—C7—C8—O43 | −70.8 (11) |
O2—P1—O4—W7 | 59.6 (5) | O43—C9—C10—O44 | 66.5 (13) |
O1—P1—O4—W7 | 179.7 (3) | O44—C11—C12—O45 | 58.0 (16) |
O3—P1—O4—W8 | 59.3 (5) | O45—C13—C14—O41 | 64.0 (17) |
O2—P1—O4—W8 | 179.4 (3) | C6—C1—O41—C14 | 176.7 (11) |
O1—P1—O4—W8 | −60.5 (5) | C2—C1—O41—C14 | −4.0 (18) |
O14—W3—O4—P1 | −133.9 (5) | C13—C14—O41—C1 | 155.9 (11) |
O10—W3—O4—P1 | −42.3 (4) | C1—C6—O42—C7 | 122.4 (11) |
O9—W3—O4—P1 | 43.3 (4) | C5—C6—O42—C7 | −61.2 (13) |
O13—W3—O4—P1 | 132.9 (5) | C8—C7—O42—C6 | −85.4 (11) |
O14—W3—O4—W7 | 90.7 (2) | C10—C9—O43—C8 | −178.7 (10) |
O10—W3—O4—W7 | −177.7 (2) | C7—C8—O43—C9 | 176.7 (9) |
O9—W3—O4—W7 | −92.1 (2) | C9—C10—O44—C11 | 84.8 (13) |
O13—W3—O4—W7 | −2.4 (2) | C12—C11—O44—C10 | −163.5 (11) |
O14—W3—O4—W8 | 2.0 (2) | C14—C13—O45—C12 | −177.6 (11) |
O10—W3—O4—W8 | 93.6 (2) | C11—C12—O45—C13 | 79.4 (16) |
O9—W3—O4—W8 | 179.2 (2) | C20—C15—C16—C17 | 5 (2) |
O13—W3—O4—W8 | −91.1 (2) | O46—C15—C16—C17 | 178.9 (13) |
O21—W7—O4—P1 | −42.6 (4) | C15—C16—C17—C18 | −2 (2) |
O13—W7—O4—P1 | −133.2 (4) | C16—C17—C18—C19 | 1 (2) |
O31—W7—O4—P1 | 44.1 (4) | C17—C18—C19—C20 | −1 (2) |
O23—W7—O4—P1 | 133.6 (4) | C16—C15—C20—O47 | −178.0 (13) |
O21—W7—O4—W3 | 93.0 (2) | O46—C15—C20—O47 | 7 (2) |
O13—W7—O4—W3 | 2.4 (2) | C16—C15—C20—C19 | −5 (2) |
O31—W7—O4—W3 | 179.7 (2) | O46—C15—C20—C19 | −179.6 (13) |
O23—W7—O4—W3 | −90.8 (2) | C18—C19—C20—C15 | 3 (2) |
O21—W7—O4—W8 | −178.4 (2) | C18—C19—C20—O47 | 175.6 (13) |
O13—W7—O4—W8 | 91.0 (2) | O47—C21—C22—O48 | 67.1 (17) |
O31—W7—O4—W8 | −91.7 (2) | O48—C23—C24—O49 | 60 (2) |
O23—W7—O4—W8 | −2.1 (2) | O49—C25—C26—O50 | −57 (2) |
O32—W8—O4—P1 | −41.7 (4) | O50—C27—C28—O46 | −72.5 (14) |
O25—W8—O4—P1 | 44.1 (4) | C20—C15—O46—C28 | −176.6 (13) |
O23—W8—O4—P1 | −133.1 (5) | C16—C15—O46—C28 | 9 (2) |
O14—W8—O4—P1 | 133.7 (5) | C27—C28—O46—C15 | 171.9 (12) |
O32—W8—O4—W3 | −177.4 (2) | C22—C21—O47—C20 | −162.8 (13) |
O25—W8—O4—W3 | −91.6 (2) | C15—C20—O47—C21 | 161.7 (13) |
O23—W8—O4—W3 | 91.2 (2) | C19—C20—O47—C21 | −11 (2) |
O14—W8—O4—W3 | −2.0 (2) | C21—C22—O48—C23 | −162.0 (13) |
O32—W8—O4—W7 | 93.5 (2) | C24—C23—O48—C22 | 80 (2) |
O25—W8—O4—W7 | 179.4 (2) | C26—C25—O49—C24 | −176.9 (16) |
O23—W8—O4—W7 | 2.2 (2) | C23—C24—O49—C25 | −170.0 (16) |
O14—W8—O4—W7 | −91.0 (2) | C28—C27—O50—C26 | 164.6 (12) |
O5—W1—O8—W2 | −131.9 (7) | C25—C26—O50—C27 | −91.2 (18) |
O10—W1—O8—W2 | −29.3 (7) | O51—C29—C30—C31 | 177.1 (10) |
O16—W1—O8—W2 | 125.9 (7) | C34—C29—C30—C31 | 3.6 (17) |
O15—W1—O8—W2 | 44.9 (11) | C29—C30—C31—C32 | −0.9 (18) |
O1—W1—O8—W2 | 54.1 (7) | C30—C31—C32—C33 | −2.0 (18) |
O6—W2—O8—W1 | 132.0 (7) | C31—C32—C33—C34 | 2.1 (17) |
O9—W2—O8—W1 | 29.5 (7) | C32—C33—C34—O52 | 179.6 (10) |
O12—W2—O8—W1 | −50.9 (11) | C32—C33—C34—C29 | 0.5 (15) |
O11—W2—O8—W1 | −126.8 (7) | C30—C29—C34—O52 | 177.6 (10) |
O2—W2—O8—W1 | −54.8 (7) | O51—C29—C34—O52 | 3.7 (14) |
O6—W2—O9—W3 | −132.1 (8) | C30—C29—C34—C33 | −3.3 (16) |
O12—W2—O9—W3 | 126.0 (8) | O51—C29—C34—C33 | −177.2 (9) |
O8—W2—O9—W3 | −30.3 (8) | O52—C35—C36—O53 | −59.0 (16) |
O11—W2—O9—W3 | 41.3 (11) | O53—C37—C38—O54 | −64.2 (14) |
O2—W2—O9—W3 | 53.9 (8) | O54—C39—C40—O55 | 59 (2) |
O7—W3—O9—W2 | 131.7 (8) | O55—C41—C42—O51 | −58 (2) |
O14—W3—O9—W2 | −47.9 (11) | C30—C29—O51—C42 | 73.4 (14) |
O10—W3—O9—W2 | 29.5 (8) | C34—C29—O51—C42 | −112.9 (11) |
O13—W3—O9—W2 | −126.5 (8) | C41—C42—O51—C29 | 155.0 (12) |
O4—W3—O9—W2 | −54.5 (8) | C33—C34—O52—C35 | 3.5 (15) |
O7—W3—O10—W1 | −128.8 (7) | C29—C34—O52—C35 | −177.4 (9) |
O14—W3—O10—W1 | 129.3 (7) | C36—C35—O52—C34 | −173.3 (10) |
O9—W3—O10—W1 | −27.0 (7) | C35—C36—O53—C37 | 174.8 (11) |
O13—W3—O10—W1 | 46.2 (11) | C38—C37—O53—C36 | −67.8 (16) |
O4—W3—O10—W1 | 56.8 (7) | C40—C39—O54—C38 | −154.9 (14) |
O5—W1—O10—W3 | 129.9 (7) | C37—C38—O54—C39 | 168.1 (13) |
O8—W1—O10—W3 | 27.7 (7) | C42—C41—O55—C40 | −178.3 (14) |
O16—W1—O10—W3 | −54.7 (11) | C39—C40—O55—C41 | 179.0 (16) |
O15—W1—O10—W3 | −129.3 (7) | O56—C43—C44—C45 | −179.1 (9) |
O1—W1—O10—W3 | −57.8 (7) | C48—C43—C44—C45 | 3.0 (16) |
O18—W5—O11—W2 | 170.1 (4) | C43—C44—C45—C46 | −2.3 (17) |
O17—W5—O11—W2 | −86.8 (4) | C44—C45—C46—C47 | 1.7 (19) |
O29—W5—O11—W2 | −7.1 (9) | C45—C46—C47—C48 | −2 (2) |
O19—W5—O11—W2 | 69.4 (4) | C46—C47—C48—C43 | 2.6 (19) |
O2—W5—O11—W2 | −2.8 (3) | C46—C47—C48—O57 | −178.0 (11) |
O6—W2—O11—W5 | −170.6 (4) | C44—C43—C48—C47 | −3.2 (17) |
O9—W2—O11—W5 | 16.0 (8) | O56—C43—C48—C47 | 178.7 (10) |
O12—W2—O11—W5 | −69.5 (4) | C44—C43—C48—O57 | 177.3 (9) |
O8—W2—O11—W5 | 87.1 (4) | O56—C43—C48—O57 | −0.8 (13) |
O2—W2—O11—W5 | 2.7 (3) | O57—C49—C50—O58 | 61.7 (14) |
O6—W2—O12—W6 | 170.7 (4) | O58—C51—C52—O59 | −46 (2) |
O9—W2—O12—W6 | −85.6 (4) | O59—C53—C54—O60 | −69.7 (13) |
O8—W2—O12—W6 | −6.4 (9) | O60—C55—C56—O56 | −70.3 (12) |
O11—W2—O12—W6 | 69.5 (4) | C44—C43—O56—C56 | 12.6 (15) |
O2—W2—O12—W6 | −2.3 (3) | C48—C43—O56—C56 | −169.5 (10) |
O20—W6—O12—W2 | −171.5 (4) | C55—C56—O56—C43 | 172.6 (9) |
O30—W6—O12—W2 | 12.4 (9) | C47—C48—O57—C49 | −9.2 (18) |
O19—W6—O12—W2 | −69.8 (4) | C43—C48—O57—C49 | 170.3 (10) |
O21—W6—O12—W2 | 85.8 (4) | C50—C49—O57—C48 | −178.0 (10) |
O2—W6—O12—W2 | 2.3 (3) | C52—C51—O58—C50 | 168.2 (14) |
O22—W7—O13—W3 | 169.6 (4) | C49—C50—O58—C51 | −160.0 (12) |
O21—W7—O13—W3 | −87.3 (4) | C54—C53—O59—C52 | −174.9 (11) |
O31—W7—O13—W3 | −10.4 (9) | C51—C52—O59—C53 | −91.8 (18) |
O23—W7—O13—W3 | 68.1 (4) | C56—C55—O60—C54 | 169.5 (10) |
O4—W7—O13—W3 | −3.8 (3) | C53—C54—O60—C55 | −89.6 (11) |
O7—W3—O13—W7 | −170.1 (4) | O61—C57—C58—C59 | 176.4 (10) |
O14—W3—O13—W7 | −68.6 (4) | C62—C57—C58—C59 | −1.1 (15) |
O10—W3—O13—W7 | 14.9 (8) | C57—C58—C59—C60 | 0.6 (17) |
O9—W3—O13—W7 | 87.5 (4) | C58—C59—C60—C61 | −0.1 (17) |
O4—W3—O13—W7 | 3.8 (3) | C59—C60—C61—C62 | 0.1 (16) |
O7—W3—O14—W8 | 170.3 (4) | C60—C61—C62—O62 | −179.8 (10) |
O10—W3—O14—W8 | −86.5 (4) | C60—C61—C62—C57 | −0.5 (15) |
O9—W3—O14—W8 | −10.0 (9) | O61—C57—C62—O62 | 2.6 (12) |
O13—W3—O14—W8 | 68.6 (4) | C58—C57—C62—O62 | −179.7 (9) |
O4—W3—O14—W8 | −3.2 (3) | O61—C57—C62—C61 | −176.7 (9) |
O24—W8—O14—W3 | −170.9 (4) | C58—C57—C62—C61 | 1.0 (14) |
O32—W8—O14—W3 | 13.9 (9) | O62—C63—C64—O63 | 66.3 (11) |
O25—W8—O14—W3 | 86.4 (4) | O63—C65—C66—O64 | 62.1 (12) |
O23—W8—O14—W3 | −68.6 (4) | O65—C69—C70—O61 | −62.1 (11) |
O4—W8—O14—W3 | 3.2 (3) | C58—C57—O61—C70 | 4.6 (15) |
O26—W9—O15—W1 | 170.6 (4) | C62—C57—O61—C70 | −177.8 (9) |
O25—W9—O15—W1 | −85.7 (4) | C69—C70—O61—C57 | 178.8 (8) |
O33—W9—O15—W1 | −5.7 (9) | C61—C62—O62—C63 | −5.4 (14) |
O27—W9—O15—W1 | 69.1 (4) | C57—C62—O62—C63 | 175.3 (8) |
O1—W9—O15—W1 | −2.0 (3) | C64—C63—O62—C62 | −179.3 (9) |
O5—W1—O15—W9 | −171.5 (4) | C66—C65—O63—C64 | 78.1 (11) |
O8—W1—O15—W9 | 11.7 (9) | C63—C64—O63—C65 | −166.0 (8) |
O10—W1—O15—W9 | 85.8 (4) | C65—C66—O64—C67 | −174.3 (9) |
O16—W1—O15—W9 | −70.1 (4) | C68—C67—O64—C66 | −178.4 (9) |
O1—W1—O15—W9 | 2.0 (3) | C70—C69—O65—C68 | 163.4 (9) |
O5—W1—O16—W4 | 169.6 (4) | C69—O65—C68—C67 | −82.5 (12) |
O8—W1—O16—W4 | −87.4 (4) | O64—C67—C68—O65 | −67.8 (13) |
O10—W1—O16—W4 | −5.8 (9) | O66—C71—C72—C73 | −177.9 (12) |
O15—W1—O16—W4 | 68.9 (4) | C76—C71—C72—C73 | 1.8 (19) |
O1—W1—O16—W4 | −2.5 (3) | C71—C72—C73—C74 | −2 (2) |
O28—W4—O16—W1 | −170.6 (4) | C72—C73—C74—C75 | 0 (2) |
O34—W4—O16—W1 | 15.1 (9) | C73—C74—C75—C76 | 2 (2) |
O27—W4—O16—W1 | −69.2 (4) | O66—C71—C76—O67 | −9.4 (15) |
O17—W4—O16—W1 | 86.2 (4) | C72—C71—C76—O67 | 170.9 (11) |
O1—W4—O16—W1 | 2.5 (3) | O66—C71—C76—C75 | 179.9 (10) |
O18—W5—O17—W4 | −129.6 (7) | C72—C71—C76—C75 | 0.2 (17) |
O11—W5—O17—W4 | 128.7 (7) | C74—C75—C76—O67 | −172.6 (12) |
O29—W5—O17—W4 | −28.0 (7) | C74—C75—C76—C71 | −2.3 (19) |
O19—W5—O17—W4 | 46.0 (11) | O67—C77—C78—O68 | −62.7 (13) |
O2—W5—O17—W4 | 56.0 (7) | O68—C79—C80—O69 | 68.9 (14) |
O28—W4—O17—W5 | 130.1 (7) | O69—C81—C82—O70 | 66.4 (13) |
O34—W4—O17—W5 | 28.4 (7) | O70—C83—C84—O66 | 61.3 (13) |
O27—W4—O17—W5 | −51.0 (11) | C76—C71—O66—C84 | 179.3 (10) |
O16—W4—O17—W5 | −128.9 (7) | C72—C71—O66—C84 | −1.0 (16) |
O1—W4—O17—W5 | −56.8 (7) | C83—C84—O66—C71 | 171.6 (9) |
O20—W6—O19—W5 | 171.1 (4) | C71—C76—O67—C77 | 130.7 (11) |
O30—W6—O19—W5 | −86.2 (4) | C75—C76—O67—C77 | −58.7 (16) |
O21—W6—O19—W5 | −5.9 (9) | C78—C77—O67—C76 | −110.0 (13) |
O12—W6—O19—W5 | 70.0 (4) | C77—C78—O68—C79 | 174.2 (10) |
O2—W6—O19—W5 | −2.2 (3) | C80—C79—O68—C78 | −170.9 (11) |
O18—W5—O19—W6 | −171.7 (4) | C82—C81—O69—C80 | −173.2 (9) |
O17—W5—O19—W6 | 12.8 (9) | C79—C80—O69—C81 | 75.0 (13) |
O11—W5—O19—W6 | −70.6 (4) | C81—C82—O70—C83 | 82.8 (12) |
O29—W5—O19—W6 | 86.4 (4) | C84—C83—O70—C82 | −175.3 (10) |
O2—W5—O19—W6 | 2.3 (3) |
Symmetry codes: (i) x, y+1, z; (ii) x−1/2, −y+1/2, z−1/2. |
D—H···A | D—H | H···A | D···A | D—H···A |
O71—H71···O16iii | 0.84 | 2.35 | 3.17 (2) | 164 |
Symmetry code: (iii) x, y, z+1. |