| Literature DB >> 21587351 |
Rong Wang, Li-Li Song, Ke-Yi Hu, Qiong-Hua Jin, Cun-Lin Zhang.
Abstract
The asymmetric unit of the title complex, [Ag(4)W(2)S(8)(C(25)H(22)P(2))(3)]·2C(3)H(7)NO, tris-[μ(2)-bis-(diphenyl-phosphino)meth-ane]-3:6κ(2)P:P';4:5κ(2)P:P';5:6κ(2)P:P'-μ(5)-sulfido-2:3:4:5:6κ(5)S-μ(3)-sulfido-1:3:4κ(3)S-tetra-μ(2)-sulfido-1:3κ(2)S;1:4κ(2)S;2:5κ(2)S;2:6κ(2)S-disulfido-1κS,2κS-tetra-silver(I)ditungsten(VI) N,N-dimethyl-formamide disolvate, contains two [WS(4)](2-) anions, four silver cations, three bidentate-bridging bis-(diphenyl-phosphino)methane (dppm) ligands and two N,N-dimethyl-formamide (DMF) solvent mol-ecules. The coordination geometry of each Ag atom is distorted tetra-hedral. Two Ag ions are coordinated by μ(2)-S and μ(5)-S atoms, and by two P atoms from two dppm ligands, while the other two Ag atoms are coordinated by μ(2)-S, μ(3)-S and μ(5)-S atoms, and by one P atom from a dppm ligand.Entities:
Year: 2010 PMID: 21587351 PMCID: PMC2983208 DOI: 10.1107/S1600536810034197
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ag4W2S8(C25H22P2)3]·2C3H7NO | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 27248 reflections |
| θ = 3.0–27.5° | |
| µ = 3.93 mm−1 | |
| β = 107.224 (1)° | Block, yellow |
| 0.47 × 0.43 × 0.43 mm | |
| Rigaku R-AXIS RAPID diffractometer | 19520 independent reflections |
| Radiation source: Rotating Anode | 18777 reflections with |
| graphite | |
| ω scans | θmax = 27.5°, θmin = 3.0° |
| Absorption correction: multi-scan ( | |
| 69256 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 19520 reflections | (Δ/σ)max = 0.009 |
| 950 parameters | Δρmax = 1.20 e Å−3 |
| 0 restraints | Δρmin = −1.36 e Å−3 |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
| Refinement. Refinement of |
| W1 | 0.685156 (8) | 0.527538 (12) | 0.590934 (6) | 0.00959 (5) | |
| W2 | 0.828154 (8) | 0.329261 (13) | 0.458854 (7) | 0.01383 (5) | |
| Ag1 | 0.701283 (16) | 0.55717 (2) | 0.490031 (13) | 0.01578 (7) | |
| Ag2 | 0.797387 (15) | 0.41531 (2) | 0.598751 (13) | 0.01418 (7) | |
| Ag3 | 0.776781 (15) | 0.20725 (2) | 0.532723 (12) | 0.01373 (7) | |
| Ag4 | 0.693052 (15) | 0.34050 (2) | 0.401396 (12) | 0.01168 (7) | |
| S1 | 0.60897 (5) | 0.52790 (8) | 0.52055 (4) | 0.0157 (2) | |
| S2 | 0.77015 (5) | 0.59208 (8) | 0.57931 (4) | 0.0129 (2) | |
| S3 | 0.70064 (5) | 0.37936 (8) | 0.62017 (4) | 0.0136 (2) | |
| S4 | 0.65859 (5) | 0.61359 (8) | 0.64489 (4) | 0.0154 (2) | |
| S5 | 0.75460 (5) | 0.37745 (8) | 0.49394 (4) | 0.0136 (2) | |
| S6 | 0.84065 (6) | 0.17432 (9) | 0.46535 (5) | 0.0247 (3) | |
| S7 | 0.79958 (5) | 0.36970 (9) | 0.37903 (4) | 0.0156 (2) | |
| S8 | 0.91157 (6) | 0.40177 (12) | 0.49661 (5) | 0.0332 (3) | |
| P1 | 0.70165 (5) | 0.64377 (8) | 0.41615 (4) | 0.0122 (2) | |
| P2 | 0.90214 (5) | 0.37198 (8) | 0.63471 (4) | 0.0119 (2) | |
| P3 | 0.86722 (5) | 0.16721 (8) | 0.60311 (4) | 0.0123 (2) | |
| P4 | 0.68282 (5) | 0.11687 (8) | 0.49608 (4) | 0.0110 (2) | |
| P5 | 0.65584 (5) | 0.17597 (8) | 0.38414 (4) | 0.0100 (2) | |
| P6 | 0.64487 (5) | 0.47428 (8) | 0.34787 (4) | 0.0112 (2) | |
| C1 | 0.7730 (2) | 0.7088 (3) | 0.42479 (17) | 0.0187 (10) | |
| C2 | 0.8271 (2) | 0.6582 (4) | 0.4461 (2) | 0.0272 (12) | |
| H2 | 0.8255 | 0.5942 | 0.4567 | 0.033* | |
| C3 | 0.8832 (3) | 0.7019 (5) | 0.4518 (2) | 0.0370 (15) | |
| H3 | 0.9200 | 0.6673 | 0.4655 | 0.044* | |
| C4 | 0.8853 (3) | 0.7961 (5) | 0.4374 (2) | 0.0437 (18) | |
| H4 | 0.9236 | 0.8258 | 0.4412 | 0.052* | |
| C5 | 0.8326 (3) | 0.8468 (5) | 0.4178 (2) | 0.0433 (17) | |
| H5 | 0.8345 | 0.9118 | 0.4090 | 0.052* | |
| C6 | 0.7761 (3) | 0.8030 (4) | 0.4107 (2) | 0.0288 (12) | |
| H6 | 0.7396 | 0.8377 | 0.3962 | 0.035* | |
| C7 | 0.6402 (2) | 0.7312 (3) | 0.39761 (17) | 0.0153 (9) | |
| C8 | 0.6100 (2) | 0.7549 (3) | 0.43287 (19) | 0.0203 (10) | |
| H8 | 0.6220 | 0.7256 | 0.4651 | 0.024* | |
| C9 | 0.5629 (3) | 0.8202 (4) | 0.4214 (2) | 0.0282 (12) | |
| H9 | 0.5431 | 0.8370 | 0.4457 | 0.034* | |
| C10 | 0.5449 (2) | 0.8609 (4) | 0.3743 (2) | 0.0281 (12) | |
| H10 | 0.5121 | 0.9051 | 0.3661 | 0.034* | |
| C11 | 0.5742 (3) | 0.8380 (4) | 0.3387 (2) | 0.0257 (11) | |
| H11 | 0.5612 | 0.8665 | 0.3064 | 0.031* | |
| C12 | 0.6221 (2) | 0.7741 (3) | 0.35032 (18) | 0.0191 (10) | |
| H12 | 0.6426 | 0.7594 | 0.3262 | 0.023* | |
| C13 | 0.6964 (2) | 0.5780 (3) | 0.35824 (16) | 0.0130 (9) | |
| H13A | 0.7378 | 0.5560 | 0.3592 | 0.016* | |
| H13B | 0.6820 | 0.6220 | 0.3293 | 0.016* | |
| C14 | 0.5696 (2) | 0.5181 (3) | 0.34616 (17) | 0.0141 (9) | |
| C15 | 0.5491 (2) | 0.5052 (3) | 0.38825 (17) | 0.0155 (9) | |
| H15 | 0.5748 | 0.4752 | 0.4174 | 0.019* | |
| C16 | 0.4916 (2) | 0.5358 (3) | 0.38777 (19) | 0.0201 (10) | |
| H16 | 0.4786 | 0.5278 | 0.4168 | 0.024* | |
| C17 | 0.4532 (2) | 0.5778 (3) | 0.3455 (2) | 0.0224 (11) | |
| H17 | 0.4136 | 0.5978 | 0.3453 | 0.027* | |
| C18 | 0.4728 (2) | 0.5907 (4) | 0.30313 (19) | 0.0236 (11) | |
| H18 | 0.4464 | 0.6193 | 0.2738 | 0.028* | |
| C19 | 0.5311 (2) | 0.5619 (3) | 0.30380 (19) | 0.0196 (10) | |
| H19 | 0.5446 | 0.5722 | 0.2751 | 0.024* | |
| C20 | 0.6363 (2) | 0.4418 (3) | 0.28259 (18) | 0.0152 (9) | |
| C21 | 0.6730 (2) | 0.4792 (3) | 0.25509 (17) | 0.0169 (9) | |
| H21 | 0.7017 | 0.5278 | 0.2694 | 0.020* | |
| C22 | 0.6680 (2) | 0.4458 (4) | 0.20679 (19) | 0.0234 (11) | |
| H22 | 0.6928 | 0.4719 | 0.1882 | 0.028* | |
| C23 | 0.6265 (2) | 0.3743 (4) | 0.18612 (19) | 0.0256 (11) | |
| H23 | 0.6230 | 0.3515 | 0.1533 | 0.031* | |
| C24 | 0.5905 (3) | 0.3362 (4) | 0.21297 (19) | 0.0269 (12) | |
| H24 | 0.5630 | 0.2860 | 0.1989 | 0.032* | |
| C25 | 0.5941 (2) | 0.3709 (3) | 0.26080 (18) | 0.0201 (10) | |
| H25 | 0.5678 | 0.3462 | 0.2785 | 0.024* | |
| C26 | 0.57227 (19) | 0.1766 (3) | 0.36167 (16) | 0.0112 (8) | |
| C27 | 0.5416 (2) | 0.2602 (3) | 0.36530 (18) | 0.0173 (9) | |
| H27 | 0.5644 | 0.3144 | 0.3807 | 0.021* | |
| C28 | 0.4787 (2) | 0.2666 (4) | 0.3470 (2) | 0.0244 (11) | |
| H28 | 0.4587 | 0.3248 | 0.3496 | 0.029* | |
| C29 | 0.4448 (2) | 0.1873 (4) | 0.32495 (19) | 0.0215 (10) | |
| H29 | 0.4016 | 0.1913 | 0.3118 | 0.026* | |
| C30 | 0.4751 (2) | 0.1017 (3) | 0.32236 (18) | 0.0189 (10) | |
| H30 | 0.4522 | 0.0465 | 0.3087 | 0.023* | |
| C31 | 0.5378 (2) | 0.0973 (3) | 0.33959 (17) | 0.0173 (9) | |
| H31 | 0.5580 | 0.0395 | 0.3364 | 0.021* | |
| C32 | 0.6776 (2) | 0.1222 (3) | 0.33224 (16) | 0.0114 (8) | |
| C33 | 0.6938 (2) | 0.1824 (3) | 0.29875 (17) | 0.0162 (9) | |
| H33 | 0.6965 | 0.2491 | 0.3049 | 0.019* | |
| C34 | 0.7063 (2) | 0.1462 (4) | 0.25613 (18) | 0.0201 (10) | |
| H34 | 0.7169 | 0.1880 | 0.2333 | 0.024* | |
| C35 | 0.7029 (2) | 0.0485 (4) | 0.24736 (18) | 0.0209 (10) | |
| H35 | 0.7113 | 0.0236 | 0.2184 | 0.025* | |
| C36 | 0.6874 (2) | −0.0127 (3) | 0.28086 (18) | 0.0200 (10) | |
| H36 | 0.6848 | −0.0793 | 0.2747 | 0.024* | |
| C37 | 0.6757 (2) | 0.0242 (3) | 0.32364 (18) | 0.0183 (10) | |
| H37 | 0.6664 | −0.0178 | 0.3471 | 0.022* | |
| C38 | 0.6761 (2) | 0.0792 (3) | 0.43110 (16) | 0.0134 (9) | |
| H38A | 0.7154 | 0.0511 | 0.4304 | 0.016* | |
| H38B | 0.6446 | 0.0288 | 0.4212 | 0.016* | |
| C39 | 0.6064 (2) | 0.1611 (3) | 0.49084 (16) | 0.0119 (8) | |
| C40 | 0.5981 (2) | 0.2566 (3) | 0.50130 (18) | 0.0187 (10) | |
| H40 | 0.6324 | 0.2970 | 0.5143 | 0.022* | |
| C41 | 0.5393 (2) | 0.2920 (4) | 0.4926 (2) | 0.0233 (11) | |
| H41 | 0.5335 | 0.3568 | 0.4998 | 0.028* | |
| C42 | 0.4894 (2) | 0.2340 (4) | 0.4736 (2) | 0.0248 (11) | |
| H42 | 0.4494 | 0.2594 | 0.4672 | 0.030* | |
| C43 | 0.4970 (2) | 0.1386 (4) | 0.46372 (18) | 0.0193 (10) | |
| H43 | 0.4624 | 0.0985 | 0.4513 | 0.023* | |
| C44 | 0.5557 (2) | 0.1020 (3) | 0.47208 (17) | 0.0159 (9) | |
| H44 | 0.5612 | 0.0370 | 0.4650 | 0.019* | |
| C45 | 0.6863 (2) | 0.0014 (3) | 0.52730 (17) | 0.0144 (9) | |
| C46 | 0.7188 (2) | −0.0738 (3) | 0.51465 (18) | 0.0198 (10) | |
| H46 | 0.7371 | −0.0662 | 0.4885 | 0.024* | |
| C47 | 0.7243 (3) | −0.1603 (4) | 0.54060 (19) | 0.0254 (11) | |
| H47 | 0.7460 | −0.2117 | 0.5318 | 0.030* | |
| C48 | 0.6979 (2) | −0.1708 (4) | 0.57924 (19) | 0.0245 (11) | |
| H48 | 0.7016 | −0.2295 | 0.5968 | 0.029* | |
| C49 | 0.6666 (2) | −0.0966 (4) | 0.59207 (19) | 0.0246 (11) | |
| H49 | 0.6486 | −0.1044 | 0.6185 | 0.030* | |
| C50 | 0.6608 (2) | −0.0102 (4) | 0.56679 (18) | 0.0204 (10) | |
| H50 | 0.6395 | 0.0410 | 0.5763 | 0.024* | |
| C51 | 0.9045 (2) | 0.0612 (3) | 0.58746 (16) | 0.0156 (9) | |
| C52 | 0.8728 (3) | −0.0241 (4) | 0.5823 (2) | 0.0297 (12) | |
| H52 | 0.8345 | −0.0265 | 0.5890 | 0.036* | |
| C53 | 0.8965 (3) | −0.1062 (4) | 0.5675 (2) | 0.0377 (15) | |
| H53 | 0.8744 | −0.1643 | 0.5638 | 0.045* | |
| C54 | 0.9519 (3) | −0.1034 (4) | 0.5582 (2) | 0.0327 (13) | |
| H54 | 0.9682 | −0.1597 | 0.5483 | 0.039* | |
| C55 | 0.9841 (3) | −0.0190 (4) | 0.5631 (2) | 0.0297 (12) | |
| H55 | 1.0223 | −0.0171 | 0.5563 | 0.036* | |
| C56 | 0.9603 (2) | 0.0633 (4) | 0.5781 (2) | 0.0246 (11) | |
| H56 | 0.9826 | 0.1212 | 0.5819 | 0.030* | |
| C57 | 0.8633 (2) | 0.1414 (3) | 0.66613 (17) | 0.0137 (9) | |
| C58 | 0.9155 (2) | 0.1100 (3) | 0.70346 (17) | 0.0182 (10) | |
| H58 | 0.9518 | 0.0962 | 0.6950 | 0.022* | |
| C59 | 0.9142 (2) | 0.0992 (4) | 0.75240 (18) | 0.0200 (10) | |
| H59 | 0.9496 | 0.0777 | 0.7775 | 0.024* | |
| C60 | 0.8614 (2) | 0.1197 (4) | 0.76500 (18) | 0.0209 (10) | |
| H60 | 0.8610 | 0.1132 | 0.7989 | 0.025* | |
| C61 | 0.8097 (2) | 0.1492 (3) | 0.72898 (19) | 0.0188 (10) | |
| H61 | 0.7737 | 0.1628 | 0.7379 | 0.023* | |
| C62 | 0.8100 (2) | 0.1593 (3) | 0.67889 (18) | 0.0170 (9) | |
| H62 | 0.7739 | 0.1783 | 0.6538 | 0.020* | |
| C63 | 0.92682 (19) | 0.2589 (3) | 0.61403 (16) | 0.0116 (8) | |
| H63A | 0.9638 | 0.2360 | 0.6399 | 0.014* | |
| H63B | 0.9377 | 0.2695 | 0.5826 | 0.014* | |
| C64 | 0.9232 (2) | 0.3680 (3) | 0.70338 (17) | 0.0138 (9) | |
| C65 | 0.9833 (2) | 0.3707 (4) | 0.73330 (18) | 0.0212 (10) | |
| H65 | 1.0153 | 0.3700 | 0.7181 | 0.025* | |
| C66 | 0.9974 (2) | 0.3745 (4) | 0.78542 (19) | 0.0251 (11) | |
| H66 | 1.0388 | 0.3787 | 0.8055 | 0.030* | |
| C67 | 0.9514 (3) | 0.3723 (4) | 0.80778 (19) | 0.0286 (12) | |
| H67 | 0.9612 | 0.3739 | 0.8434 | 0.034* | |
| C68 | 0.8912 (3) | 0.3677 (4) | 0.77874 (19) | 0.0277 (12) | |
| H68 | 0.8595 | 0.3658 | 0.7943 | 0.033* | |
| C69 | 0.8771 (2) | 0.3658 (3) | 0.72647 (18) | 0.0191 (10) | |
| H69 | 0.8357 | 0.3630 | 0.7065 | 0.023* | |
| C70 | 0.9557 (2) | 0.4595 (3) | 0.62351 (17) | 0.0142 (9) | |
| C71 | 1.0132 (2) | 0.4363 (3) | 0.61976 (17) | 0.0153 (9) | |
| H71 | 1.0264 | 0.3718 | 0.6227 | 0.018* | |
| C72 | 1.0514 (2) | 0.5073 (3) | 0.61178 (17) | 0.0173 (9) | |
| H72 | 1.0904 | 0.4913 | 0.6087 | 0.021* | |
| C73 | 1.0329 (2) | 0.6012 (4) | 0.60827 (18) | 0.0205 (10) | |
| H73 | 1.0593 | 0.6496 | 0.6030 | 0.025* | |
| C74 | 0.9756 (2) | 0.6252 (4) | 0.61239 (19) | 0.0226 (11) | |
| H74 | 0.9633 | 0.6900 | 0.6108 | 0.027* | |
| C75 | 0.9368 (2) | 0.5540 (3) | 0.61882 (19) | 0.0193 (10) | |
| H75 | 0.8970 | 0.5699 | 0.6200 | 0.023* | |
| O1 | 0.71217 (18) | 0.7272 (3) | 0.26992 (15) | 0.0286 (9) | |
| N1 | 0.78968 (19) | 0.6532 (3) | 0.24912 (16) | 0.0215 (9) | |
| C76 | 0.7377 (2) | 0.7023 (3) | 0.2391 (2) | 0.0230 (11) | |
| H76 | 0.7188 | 0.7196 | 0.2050 | 0.028* | |
| C77 | 0.8220 (2) | 0.6244 (4) | 0.3001 (2) | 0.0287 (12) | |
| H77A | 0.8074 | 0.6621 | 0.3239 | 0.043* | |
| H77B | 0.8659 | 0.6350 | 0.3065 | 0.043* | |
| H77C | 0.8145 | 0.5567 | 0.3044 | 0.043* | |
| C78 | 0.8173 (3) | 0.6276 (4) | 0.2097 (2) | 0.0303 (12) | |
| H78A | 0.7921 | 0.6525 | 0.1773 | 0.045* | |
| H78B | 0.8199 | 0.5581 | 0.2078 | 0.045* | |
| H78C | 0.8583 | 0.6550 | 0.2177 | 0.045* | |
| O2 | 0.9365 (2) | 0.6952 (4) | 0.83007 (18) | 0.0508 (13) | |
| N2 | 0.8745 (2) | 0.6405 (3) | 0.75669 (18) | 0.0266 (10) | |
| C79 | 0.8866 (3) | 0.6654 (4) | 0.8036 (2) | 0.0352 (14) | |
| H79 | 0.8546 | 0.6604 | 0.8186 | 0.042* | |
| C80 | 0.9225 (3) | 0.6454 (5) | 0.7310 (3) | 0.0405 (15) | |
| H80A | 0.9587 | 0.6772 | 0.7530 | 0.061* | |
| H80B | 0.9072 | 0.6815 | 0.6997 | 0.061* | |
| H80C | 0.9334 | 0.5808 | 0.7235 | 0.061* | |
| C81 | 0.8168 (3) | 0.6078 (5) | 0.7255 (3) | 0.0424 (16) | |
| H81A | 0.7874 | 0.6068 | 0.7448 | 0.064* | |
| H81B | 0.8213 | 0.5434 | 0.7135 | 0.064* | |
| H81C | 0.8021 | 0.6507 | 0.6966 | 0.064* |
| W1 | 0.00959 (9) | 0.01051 (8) | 0.00897 (8) | 0.00050 (6) | 0.00322 (7) | 0.00076 (6) |
| W2 | 0.01041 (9) | 0.02124 (10) | 0.00953 (9) | −0.00198 (7) | 0.00248 (7) | 0.00324 (7) |
| Ag1 | 0.01769 (18) | 0.01876 (17) | 0.01144 (16) | 0.00004 (13) | 0.00515 (13) | 0.00419 (13) |
| Ag2 | 0.00979 (16) | 0.01623 (16) | 0.01571 (17) | 0.00196 (12) | 0.00253 (13) | 0.00284 (13) |
| Ag3 | 0.01196 (17) | 0.01387 (16) | 0.01320 (16) | −0.00216 (12) | 0.00038 (13) | 0.00199 (12) |
| Ag4 | 0.01172 (16) | 0.01111 (15) | 0.01114 (15) | −0.00089 (12) | 0.00175 (12) | 0.00073 (12) |
| S1 | 0.0119 (5) | 0.0230 (6) | 0.0107 (5) | −0.0008 (4) | 0.0009 (4) | 0.0018 (4) |
| S2 | 0.0118 (5) | 0.0124 (5) | 0.0151 (5) | −0.0015 (4) | 0.0049 (4) | 0.0014 (4) |
| S3 | 0.0149 (5) | 0.0121 (5) | 0.0154 (5) | 0.0014 (4) | 0.0069 (4) | 0.0030 (4) |
| S4 | 0.0166 (6) | 0.0149 (5) | 0.0165 (5) | 0.0016 (4) | 0.0077 (4) | −0.0022 (4) |
| S5 | 0.0178 (6) | 0.0134 (5) | 0.0100 (5) | −0.0002 (4) | 0.0047 (4) | 0.0002 (4) |
| S6 | 0.0313 (7) | 0.0250 (6) | 0.0236 (6) | 0.0131 (5) | 0.0168 (6) | 0.0079 (5) |
| S7 | 0.0139 (6) | 0.0241 (6) | 0.0093 (5) | −0.0017 (4) | 0.0043 (4) | 0.0032 (4) |
| S8 | 0.0199 (7) | 0.0608 (10) | 0.0151 (6) | −0.0208 (6) | −0.0006 (5) | 0.0056 (6) |
| P1 | 0.0146 (6) | 0.0116 (5) | 0.0102 (5) | −0.0019 (4) | 0.0036 (4) | 0.0007 (4) |
| P2 | 0.0103 (5) | 0.0127 (5) | 0.0118 (5) | −0.0002 (4) | 0.0019 (4) | 0.0012 (4) |
| P3 | 0.0126 (6) | 0.0123 (5) | 0.0105 (5) | −0.0008 (4) | 0.0012 (4) | 0.0014 (4) |
| P4 | 0.0119 (5) | 0.0107 (5) | 0.0099 (5) | −0.0015 (4) | 0.0026 (4) | 0.0009 (4) |
| P5 | 0.0110 (5) | 0.0100 (5) | 0.0089 (5) | −0.0003 (4) | 0.0027 (4) | 0.0002 (4) |
| P6 | 0.0111 (6) | 0.0112 (5) | 0.0111 (5) | 0.0000 (4) | 0.0032 (4) | 0.0017 (4) |
| C1 | 0.024 (3) | 0.021 (2) | 0.014 (2) | −0.0047 (19) | 0.0099 (19) | −0.0057 (19) |
| C2 | 0.020 (3) | 0.031 (3) | 0.030 (3) | −0.004 (2) | 0.006 (2) | −0.009 (2) |
| C3 | 0.021 (3) | 0.056 (4) | 0.034 (3) | −0.010 (3) | 0.007 (2) | −0.016 (3) |
| C4 | 0.039 (4) | 0.067 (5) | 0.032 (3) | −0.035 (3) | 0.020 (3) | −0.021 (3) |
| C5 | 0.050 (4) | 0.041 (4) | 0.040 (4) | −0.030 (3) | 0.016 (3) | −0.005 (3) |
| C6 | 0.034 (3) | 0.027 (3) | 0.025 (3) | −0.015 (2) | 0.009 (2) | 0.003 (2) |
| C7 | 0.018 (2) | 0.011 (2) | 0.017 (2) | −0.0027 (17) | 0.0049 (19) | 0.0010 (17) |
| C8 | 0.025 (3) | 0.016 (2) | 0.021 (2) | −0.0004 (19) | 0.010 (2) | −0.0008 (19) |
| C9 | 0.032 (3) | 0.022 (3) | 0.036 (3) | 0.004 (2) | 0.019 (3) | 0.004 (2) |
| C10 | 0.024 (3) | 0.022 (3) | 0.039 (3) | 0.004 (2) | 0.009 (2) | 0.005 (2) |
| C11 | 0.029 (3) | 0.019 (2) | 0.029 (3) | 0.002 (2) | 0.008 (2) | 0.006 (2) |
| C12 | 0.028 (3) | 0.015 (2) | 0.015 (2) | 0.0009 (19) | 0.008 (2) | 0.0018 (18) |
| C13 | 0.014 (2) | 0.014 (2) | 0.010 (2) | −0.0012 (17) | 0.0027 (17) | 0.0031 (17) |
| C14 | 0.015 (2) | 0.014 (2) | 0.015 (2) | −0.0031 (17) | 0.0063 (18) | −0.0027 (17) |
| C15 | 0.015 (2) | 0.015 (2) | 0.016 (2) | −0.0023 (17) | 0.0044 (18) | −0.0044 (18) |
| C16 | 0.018 (3) | 0.024 (3) | 0.019 (2) | −0.0012 (19) | 0.008 (2) | −0.003 (2) |
| C17 | 0.015 (2) | 0.020 (2) | 0.034 (3) | 0.0037 (19) | 0.009 (2) | −0.001 (2) |
| C18 | 0.020 (3) | 0.026 (3) | 0.021 (3) | 0.004 (2) | 0.000 (2) | 0.004 (2) |
| C19 | 0.019 (3) | 0.021 (2) | 0.021 (2) | 0.0055 (19) | 0.008 (2) | 0.006 (2) |
| C20 | 0.014 (2) | 0.010 (2) | 0.020 (2) | 0.0033 (17) | 0.0036 (18) | 0.0031 (18) |
| C21 | 0.013 (2) | 0.022 (2) | 0.015 (2) | 0.0022 (18) | 0.0031 (18) | 0.0002 (18) |
| C22 | 0.023 (3) | 0.032 (3) | 0.016 (2) | 0.009 (2) | 0.007 (2) | 0.001 (2) |
| C23 | 0.031 (3) | 0.028 (3) | 0.014 (2) | 0.003 (2) | 0.001 (2) | −0.003 (2) |
| C24 | 0.042 (3) | 0.015 (2) | 0.017 (2) | −0.005 (2) | −0.002 (2) | −0.0003 (19) |
| C25 | 0.025 (3) | 0.016 (2) | 0.016 (2) | −0.0064 (19) | 0.000 (2) | 0.0033 (18) |
| C26 | 0.009 (2) | 0.017 (2) | 0.0078 (19) | 0.0001 (16) | 0.0029 (16) | 0.0040 (16) |
| C27 | 0.018 (2) | 0.016 (2) | 0.019 (2) | −0.0002 (18) | 0.0084 (19) | 0.0023 (18) |
| C28 | 0.019 (3) | 0.020 (2) | 0.037 (3) | 0.005 (2) | 0.012 (2) | 0.000 (2) |
| C29 | 0.011 (2) | 0.033 (3) | 0.022 (3) | −0.002 (2) | 0.0048 (19) | 0.002 (2) |
| C30 | 0.018 (2) | 0.021 (2) | 0.017 (2) | −0.0063 (19) | 0.0049 (19) | −0.0068 (19) |
| C31 | 0.019 (2) | 0.018 (2) | 0.014 (2) | −0.0008 (18) | 0.0030 (19) | −0.0003 (18) |
| C32 | 0.013 (2) | 0.012 (2) | 0.0088 (19) | 0.0016 (16) | 0.0031 (16) | −0.0014 (16) |
| C33 | 0.018 (2) | 0.014 (2) | 0.017 (2) | 0.0010 (17) | 0.0056 (19) | 0.0008 (18) |
| C34 | 0.020 (3) | 0.026 (3) | 0.017 (2) | −0.003 (2) | 0.010 (2) | 0.002 (2) |
| C35 | 0.024 (3) | 0.027 (3) | 0.013 (2) | 0.000 (2) | 0.007 (2) | −0.004 (2) |
| C36 | 0.028 (3) | 0.011 (2) | 0.020 (2) | 0.0032 (19) | 0.006 (2) | −0.0052 (18) |
| C37 | 0.025 (3) | 0.017 (2) | 0.014 (2) | 0.0002 (19) | 0.007 (2) | 0.0025 (18) |
| C38 | 0.016 (2) | 0.012 (2) | 0.012 (2) | −0.0024 (17) | 0.0048 (18) | −0.0011 (17) |
| C39 | 0.011 (2) | 0.017 (2) | 0.0081 (19) | −0.0030 (16) | 0.0038 (16) | 0.0013 (16) |
| C40 | 0.018 (2) | 0.017 (2) | 0.019 (2) | −0.0022 (18) | 0.0034 (19) | −0.0039 (19) |
| C41 | 0.023 (3) | 0.017 (2) | 0.033 (3) | 0.003 (2) | 0.013 (2) | −0.002 (2) |
| C42 | 0.018 (3) | 0.033 (3) | 0.025 (3) | 0.003 (2) | 0.009 (2) | −0.003 (2) |
| C43 | 0.015 (2) | 0.023 (2) | 0.019 (2) | −0.0064 (19) | 0.0053 (19) | −0.005 (2) |
| C44 | 0.017 (2) | 0.017 (2) | 0.015 (2) | −0.0040 (18) | 0.0071 (18) | −0.0027 (18) |
| C45 | 0.013 (2) | 0.018 (2) | 0.012 (2) | −0.0051 (17) | 0.0032 (17) | 0.0018 (17) |
| C46 | 0.028 (3) | 0.017 (2) | 0.015 (2) | −0.0001 (19) | 0.006 (2) | 0.0006 (18) |
| C47 | 0.037 (3) | 0.017 (2) | 0.018 (2) | 0.000 (2) | 0.001 (2) | −0.001 (2) |
| C48 | 0.030 (3) | 0.018 (2) | 0.019 (3) | −0.006 (2) | −0.003 (2) | 0.002 (2) |
| C49 | 0.027 (3) | 0.030 (3) | 0.017 (2) | −0.006 (2) | 0.007 (2) | 0.009 (2) |
| C50 | 0.024 (3) | 0.024 (2) | 0.015 (2) | 0.001 (2) | 0.007 (2) | 0.0054 (19) |
| C51 | 0.019 (2) | 0.014 (2) | 0.010 (2) | 0.0035 (18) | −0.0017 (18) | 0.0002 (17) |
| C52 | 0.028 (3) | 0.023 (3) | 0.037 (3) | 0.000 (2) | 0.008 (3) | −0.003 (2) |
| C53 | 0.044 (4) | 0.015 (3) | 0.051 (4) | −0.004 (2) | 0.008 (3) | −0.012 (3) |
| C54 | 0.050 (4) | 0.024 (3) | 0.020 (3) | 0.011 (3) | 0.003 (3) | −0.008 (2) |
| C55 | 0.034 (3) | 0.027 (3) | 0.029 (3) | 0.013 (2) | 0.011 (2) | 0.004 (2) |
| C56 | 0.027 (3) | 0.020 (2) | 0.029 (3) | 0.004 (2) | 0.011 (2) | 0.003 (2) |
| C57 | 0.014 (2) | 0.013 (2) | 0.013 (2) | −0.0018 (17) | 0.0026 (17) | 0.0019 (17) |
| C58 | 0.015 (2) | 0.026 (2) | 0.014 (2) | −0.0007 (19) | 0.0050 (18) | 0.0014 (19) |
| C59 | 0.019 (3) | 0.025 (3) | 0.013 (2) | 0.001 (2) | 0.0019 (19) | 0.0066 (19) |
| C60 | 0.026 (3) | 0.024 (2) | 0.014 (2) | −0.002 (2) | 0.009 (2) | 0.0015 (19) |
| C61 | 0.018 (2) | 0.018 (2) | 0.024 (3) | −0.0007 (18) | 0.013 (2) | 0.0030 (19) |
| C62 | 0.014 (2) | 0.015 (2) | 0.022 (2) | −0.0009 (17) | 0.0066 (19) | 0.0015 (18) |
| C63 | 0.008 (2) | 0.016 (2) | 0.012 (2) | −0.0002 (16) | 0.0050 (16) | 0.0009 (17) |
| C64 | 0.017 (2) | 0.0093 (19) | 0.013 (2) | −0.0019 (17) | 0.0017 (18) | −0.0012 (16) |
| C65 | 0.018 (3) | 0.027 (3) | 0.016 (2) | 0.002 (2) | 0.0018 (19) | 0.001 (2) |
| C66 | 0.020 (3) | 0.030 (3) | 0.019 (2) | −0.002 (2) | −0.005 (2) | −0.001 (2) |
| C67 | 0.035 (3) | 0.036 (3) | 0.011 (2) | −0.002 (2) | 0.001 (2) | −0.005 (2) |
| C68 | 0.034 (3) | 0.036 (3) | 0.017 (3) | −0.005 (2) | 0.013 (2) | −0.006 (2) |
| C69 | 0.018 (2) | 0.021 (2) | 0.018 (2) | −0.0015 (19) | 0.0045 (19) | −0.0052 (19) |
| C70 | 0.012 (2) | 0.017 (2) | 0.012 (2) | −0.0031 (17) | 0.0015 (17) | 0.0004 (17) |
| C71 | 0.013 (2) | 0.017 (2) | 0.014 (2) | −0.0020 (17) | 0.0021 (18) | 0.0007 (18) |
| C72 | 0.016 (2) | 0.024 (2) | 0.015 (2) | −0.0050 (19) | 0.0088 (19) | −0.0020 (19) |
| C73 | 0.021 (3) | 0.023 (2) | 0.016 (2) | −0.008 (2) | 0.004 (2) | 0.0018 (19) |
| C74 | 0.021 (3) | 0.017 (2) | 0.027 (3) | −0.0029 (19) | 0.004 (2) | 0.004 (2) |
| C75 | 0.010 (2) | 0.018 (2) | 0.028 (3) | −0.0020 (18) | 0.0035 (19) | −0.001 (2) |
| O1 | 0.031 (2) | 0.0237 (19) | 0.035 (2) | 0.0058 (16) | 0.0170 (18) | 0.0087 (17) |
| N1 | 0.020 (2) | 0.022 (2) | 0.023 (2) | −0.0003 (17) | 0.0074 (18) | 0.0044 (18) |
| C76 | 0.021 (3) | 0.017 (2) | 0.031 (3) | 0.0007 (19) | 0.009 (2) | 0.012 (2) |
| C77 | 0.022 (3) | 0.034 (3) | 0.026 (3) | −0.001 (2) | 0.001 (2) | 0.008 (2) |
| C78 | 0.029 (3) | 0.028 (3) | 0.037 (3) | 0.006 (2) | 0.014 (3) | 0.004 (2) |
| O2 | 0.026 (2) | 0.071 (3) | 0.043 (3) | −0.006 (2) | −0.008 (2) | −0.016 (3) |
| N2 | 0.017 (2) | 0.028 (2) | 0.032 (3) | 0.0030 (18) | 0.0038 (19) | −0.007 (2) |
| C79 | 0.029 (3) | 0.043 (4) | 0.032 (3) | 0.004 (3) | 0.005 (3) | −0.001 (3) |
| C80 | 0.039 (4) | 0.045 (4) | 0.043 (4) | 0.001 (3) | 0.020 (3) | −0.006 (3) |
| C81 | 0.027 (3) | 0.034 (3) | 0.056 (4) | −0.002 (3) | −0.003 (3) | −0.016 (3) |
| W1—S4 | 2.1523 (11) | C32—C33 | 1.390 (6) |
| W1—S1 | 2.2062 (11) | C32—C37 | 1.395 (6) |
| W1—S3 | 2.2240 (11) | C33—C34 | 1.396 (6) |
| W1—S2 | 2.2579 (11) | C33—H33 | 0.9500 |
| W1—Ag2 | 2.9701 (4) | C34—C35 | 1.391 (7) |
| W1—Ag1 | 2.9707 (5) | C34—H34 | 0.9500 |
| W2—S8 | 2.1470 (13) | C35—C36 | 1.390 (7) |
| W2—S6 | 2.1945 (13) | C35—H35 | 0.9500 |
| W2—S7 | 2.1985 (11) | C36—C37 | 1.396 (6) |
| W2—S5 | 2.2878 (11) | C36—H36 | 0.9500 |
| W2—Ag4 | 3.0410 (4) | C37—H37 | 0.9500 |
| W2—Ag3 | 3.1609 (4) | C38—H38A | 0.9900 |
| Ag1—P1 | 2.3924 (12) | C38—H38B | 0.9900 |
| Ag1—S1 | 2.5374 (12) | C39—C40 | 1.396 (6) |
| Ag1—S2 | 2.5677 (12) | C39—C44 | 1.398 (6) |
| Ag1—S5 | 2.7919 (12) | C40—C41 | 1.390 (7) |
| Ag2—P2 | 2.3914 (12) | C40—H40 | 0.9500 |
| Ag2—S3 | 2.5132 (11) | C41—C42 | 1.376 (7) |
| Ag2—S2 | 2.5772 (11) | C41—H41 | 0.9500 |
| Ag2—S5 | 2.8412 (12) | C42—C43 | 1.389 (7) |
| Ag3—P4 | 2.4478 (12) | C42—H42 | 0.9500 |
| Ag3—P3 | 2.4602 (12) | C43—C44 | 1.394 (7) |
| Ag3—S5 | 2.6096 (12) | C43—H43 | 0.9500 |
| Ag3—S6 | 2.7403 (13) | C44—H44 | 0.9500 |
| Ag4—P6 | 2.4485 (12) | C45—C46 | 1.396 (7) |
| Ag4—P5 | 2.4601 (11) | C45—C50 | 1.400 (6) |
| Ag4—S5 | 2.5984 (12) | C46—C47 | 1.400 (7) |
| Ag4—S7 | 2.7248 (12) | C46—H46 | 0.9500 |
| P1—C1 | 1.826 (5) | C47—C48 | 1.390 (8) |
| P1—C7 | 1.824 (5) | C47—H47 | 0.9500 |
| P1—C13 | 1.831 (4) | C48—C49 | 1.371 (8) |
| P2—C70 | 1.829 (5) | C48—H48 | 0.9500 |
| P2—C64 | 1.830 (5) | C49—C50 | 1.389 (7) |
| P2—C63 | 1.835 (4) | C49—H49 | 0.9500 |
| P3—C57 | 1.820 (5) | C50—H50 | 0.9500 |
| P3—C51 | 1.831 (5) | C51—C56 | 1.380 (7) |
| P3—C63 | 1.836 (4) | C51—C52 | 1.387 (7) |
| P4—C39 | 1.823 (5) | C52—C53 | 1.390 (8) |
| P4—C45 | 1.830 (5) | C52—H52 | 0.9500 |
| P4—C38 | 1.848 (4) | C53—C54 | 1.369 (9) |
| P5—C32 | 1.826 (4) | C53—H53 | 0.9500 |
| P5—C26 | 1.832 (4) | C54—C55 | 1.381 (8) |
| P5—C38 | 1.847 (4) | C54—H54 | 0.9500 |
| P6—C14 | 1.820 (5) | C55—C56 | 1.394 (7) |
| P6—C20 | 1.828 (5) | C55—H55 | 0.9500 |
| P6—C13 | 1.844 (4) | C56—H56 | 0.9500 |
| C1—C6 | 1.387 (7) | C57—C62 | 1.395 (6) |
| C1—C2 | 1.399 (7) | C57—C58 | 1.403 (6) |
| C2—C3 | 1.392 (8) | C58—C59 | 1.381 (6) |
| C2—H2 | 0.9500 | C58—H58 | 0.9500 |
| C3—C4 | 1.386 (10) | C59—C60 | 1.387 (7) |
| C3—H3 | 0.9500 | C59—H59 | 0.9500 |
| C4—C5 | 1.369 (10) | C60—C61 | 1.371 (7) |
| C4—H4 | 0.9500 | C60—H60 | 0.9500 |
| C5—C6 | 1.394 (8) | C61—C62 | 1.404 (7) |
| C5—H5 | 0.9500 | C61—H61 | 0.9500 |
| C6—H6 | 0.9500 | C62—H62 | 0.9500 |
| C7—C12 | 1.395 (6) | C63—H63A | 0.9900 |
| C7—C8 | 1.400 (6) | C63—H63B | 0.9900 |
| C8—C9 | 1.380 (7) | C64—C69 | 1.389 (6) |
| C8—H8 | 0.9500 | C64—C65 | 1.385 (7) |
| C9—C10 | 1.376 (8) | C65—C66 | 1.392 (7) |
| C9—H9 | 0.9500 | C65—H65 | 0.9500 |
| C10—C11 | 1.388 (8) | C66—C67 | 1.375 (8) |
| C10—H10 | 0.9500 | C66—H66 | 0.9500 |
| C11—C12 | 1.381 (7) | C67—C68 | 1.380 (8) |
| C11—H11 | 0.9500 | C67—H67 | 0.9500 |
| C12—H12 | 0.9500 | C68—C69 | 1.395 (7) |
| C13—H13A | 0.9900 | C68—H68 | 0.9500 |
| C13—H13B | 0.9900 | C69—H69 | 0.9500 |
| C14—C19 | 1.390 (7) | C70—C71 | 1.392 (6) |
| C14—C15 | 1.399 (6) | C70—C75 | 1.390 (6) |
| C15—C16 | 1.381 (7) | C71—C72 | 1.388 (6) |
| C15—H15 | 0.9500 | C71—H71 | 0.9500 |
| C16—C17 | 1.376 (7) | C72—C73 | 1.378 (7) |
| C16—H16 | 0.9500 | C72—H72 | 0.9500 |
| C17—C18 | 1.394 (7) | C73—C74 | 1.394 (7) |
| C17—H17 | 0.9500 | C73—H73 | 0.9500 |
| C18—C19 | 1.390 (7) | C74—C75 | 1.385 (6) |
| C18—H18 | 0.9500 | C74—H74 | 0.9500 |
| C19—H19 | 0.9500 | C75—H75 | 0.9500 |
| C20—C21 | 1.398 (6) | O1—C76 | 1.224 (6) |
| C20—C25 | 1.396 (6) | N1—C76 | 1.333 (6) |
| C21—C22 | 1.397 (6) | N1—C77 | 1.452 (6) |
| C21—H21 | 0.9500 | N1—C78 | 1.465 (7) |
| C22—C23 | 1.384 (8) | C76—H76 | 0.9500 |
| C22—H22 | 0.9500 | C77—H77A | 0.9800 |
| C23—C24 | 1.376 (8) | C77—H77B | 0.9800 |
| C23—H23 | 0.9500 | C77—H77C | 0.9800 |
| C24—C25 | 1.398 (7) | C78—H78A | 0.9800 |
| C24—H24 | 0.9500 | C78—H78B | 0.9800 |
| C25—H25 | 0.9500 | C78—H78C | 0.9800 |
| C26—C27 | 1.387 (6) | O2—C79 | 1.237 (7) |
| C26—C31 | 1.399 (6) | N2—C79 | 1.300 (7) |
| C27—C28 | 1.383 (7) | N2—C81 | 1.427 (7) |
| C27—H27 | 0.9500 | N2—C80 | 1.481 (7) |
| C28—C29 | 1.392 (7) | C79—H79 | 0.9500 |
| C28—H28 | 0.9500 | C80—H80A | 0.9800 |
| C29—C30 | 1.401 (7) | C80—H80B | 0.9800 |
| C29—H29 | 0.9500 | C80—H80C | 0.9800 |
| C30—C31 | 1.376 (7) | C81—H81A | 0.9800 |
| C30—H30 | 0.9500 | C81—H81B | 0.9800 |
| C31—H31 | 0.9500 | C81—H81C | 0.9800 |
| S4—W1—S1 | 107.81 (4) | C25—C24—H24 | 119.8 |
| S4—W1—S3 | 108.47 (4) | C20—C25—C24 | 120.0 (5) |
| S1—W1—S3 | 109.03 (4) | C20—C25—H25 | 120.0 |
| S4—W1—S2 | 108.04 (4) | C24—C25—H25 | 120.0 |
| S1—W1—S2 | 111.20 (4) | C27—C26—C31 | 118.3 (4) |
| S3—W1—S2 | 112.14 (4) | C27—C26—P5 | 118.7 (3) |
| S4—W1—Ag2 | 131.67 (3) | C31—C26—P5 | 123.0 (3) |
| S1—W1—Ag2 | 120.49 (3) | C28—C27—C26 | 121.5 (5) |
| S3—W1—Ag2 | 55.67 (3) | C28—C27—H27 | 119.2 |
| S2—W1—Ag2 | 57.14 (3) | C26—C27—H27 | 119.2 |
| S4—W1—Ag1 | 136.25 (3) | C27—C28—C29 | 119.8 (5) |
| S1—W1—Ag1 | 56.40 (3) | C27—C28—H28 | 120.1 |
| S3—W1—Ag1 | 115.24 (3) | C29—C28—H28 | 120.1 |
| S2—W1—Ag1 | 56.88 (3) | C28—C29—C30 | 119.2 (5) |
| Ag2—W1—Ag1 | 78.214 (10) | C28—C29—H29 | 120.4 |
| S8—W2—S6 | 110.73 (6) | C30—C29—H29 | 120.4 |
| S8—W2—S7 | 109.18 (5) | C31—C30—C29 | 120.2 (4) |
| S6—W2—S7 | 109.38 (5) | C31—C30—H30 | 119.9 |
| S8—W2—S5 | 108.25 (5) | C29—C30—H30 | 119.9 |
| S6—W2—S5 | 110.66 (4) | C30—C31—C26 | 120.9 (4) |
| S7—W2—S5 | 108.61 (4) | C30—C31—H31 | 119.5 |
| S8—W2—Ag4 | 148.67 (5) | C26—C31—H31 | 119.5 |
| S6—W2—Ag4 | 100.53 (4) | C33—C32—C37 | 119.0 (4) |
| S7—W2—Ag4 | 60.14 (3) | C33—C32—P5 | 118.1 (3) |
| S5—W2—Ag4 | 56.25 (3) | C37—C32—P5 | 122.8 (3) |
| S8—W2—Ag3 | 112.82 (4) | C32—C33—C34 | 120.8 (4) |
| S6—W2—Ag3 | 58.26 (3) | C32—C33—H33 | 119.6 |
| S7—W2—Ag3 | 137.85 (3) | C34—C33—H33 | 119.6 |
| S5—W2—Ag3 | 54.42 (3) | C33—C34—C35 | 119.6 (4) |
| Ag4—W2—Ag3 | 81.533 (11) | C33—C34—H34 | 120.2 |
| P1—Ag1—S1 | 125.90 (4) | C35—C34—H34 | 120.2 |
| P1—Ag1—S2 | 125.34 (4) | C36—C35—C34 | 120.2 (4) |
| S1—Ag1—S2 | 92.36 (4) | C36—C35—H35 | 119.9 |
| P1—Ag1—S5 | 112.32 (4) | C34—C35—H35 | 119.9 |
| S1—Ag1—S5 | 103.87 (4) | C35—C36—C37 | 119.7 (4) |
| S2—Ag1—S5 | 89.89 (3) | C35—C36—H36 | 120.2 |
| P1—Ag1—W1 | 156.66 (3) | C37—C36—H36 | 120.2 |
| S1—Ag1—W1 | 46.40 (3) | C32—C37—C36 | 120.6 (4) |
| S2—Ag1—W1 | 47.43 (2) | C32—C37—H37 | 119.7 |
| S5—Ag1—W1 | 90.70 (2) | C36—C37—H37 | 119.7 |
| P2—Ag2—S3 | 134.21 (4) | P5—C38—P4 | 114.5 (2) |
| P2—Ag2—S2 | 118.94 (4) | P5—C38—H38A | 108.6 |
| S3—Ag2—S2 | 93.86 (4) | P4—C38—H38A | 108.6 |
| P2—Ag2—S5 | 112.41 (4) | P5—C38—H38B | 108.6 |
| S3—Ag2—S5 | 98.39 (4) | P4—C38—H38B | 108.6 |
| S2—Ag2—S5 | 88.61 (3) | H38A—C38—H38B | 107.6 |
| P2—Ag2—W1 | 155.06 (3) | C40—C39—C44 | 119.8 (4) |
| S3—Ag2—W1 | 46.95 (3) | C40—C39—P4 | 119.9 (3) |
| S2—Ag2—W1 | 47.38 (2) | C44—C39—P4 | 120.1 (3) |
| S5—Ag2—W1 | 89.76 (2) | C41—C40—C39 | 119.5 (4) |
| P4—Ag3—P3 | 130.09 (4) | C41—C40—H40 | 120.3 |
| P4—Ag3—S5 | 105.22 (4) | C39—C40—H40 | 120.3 |
| P3—Ag3—S5 | 123.65 (4) | C42—C41—C40 | 120.6 (5) |
| P4—Ag3—S6 | 102.12 (4) | C42—C41—H41 | 119.7 |
| P3—Ag3—S6 | 90.68 (4) | C40—C41—H41 | 119.7 |
| S5—Ag3—S6 | 87.08 (4) | C41—C42—C43 | 120.5 (5) |
| P4—Ag3—W2 | 117.46 (3) | C41—C42—H42 | 119.8 |
| P3—Ag3—W2 | 104.71 (3) | C43—C42—H42 | 119.8 |
| S5—Ag3—W2 | 45.48 (2) | C42—C43—C44 | 119.6 (4) |
| S6—Ag3—W2 | 42.93 (3) | C42—C43—H43 | 120.2 |
| P6—Ag4—P5 | 122.24 (4) | C44—C43—H43 | 120.2 |
| P6—Ag4—S5 | 117.74 (4) | C39—C44—C43 | 120.0 (4) |
| P5—Ag4—S5 | 115.87 (4) | C39—C44—H44 | 120.0 |
| P6—Ag4—S7 | 91.08 (4) | C43—C44—H44 | 120.0 |
| P5—Ag4—S7 | 112.28 (4) | C46—C45—C50 | 119.2 (4) |
| S5—Ag4—S7 | 86.36 (4) | C46—C45—P4 | 120.1 (3) |
| P6—Ag4—W2 | 124.47 (3) | C50—C45—P4 | 120.5 (4) |
| P5—Ag4—W2 | 107.12 (3) | C45—C46—C47 | 119.9 (5) |
| S5—Ag4—W2 | 47.06 (3) | C45—C46—H46 | 120.0 |
| S7—Ag4—W2 | 44.41 (2) | C47—C46—H46 | 120.0 |
| W1—S1—Ag1 | 77.20 (4) | C48—C47—C46 | 119.9 (5) |
| W1—S2—Ag1 | 75.69 (3) | C48—C47—H47 | 120.0 |
| W1—S2—Ag2 | 75.48 (3) | C46—C47—H47 | 120.0 |
| Ag1—S2—Ag2 | 93.50 (4) | C49—C48—C47 | 120.2 (5) |
| W1—S3—Ag2 | 77.39 (3) | C49—C48—H48 | 119.9 |
| W2—S5—Ag4 | 76.69 (3) | C47—C48—H48 | 119.9 |
| W2—S5—Ag3 | 80.10 (3) | C48—C49—C50 | 120.7 (5) |
| Ag4—S5—Ag3 | 102.12 (4) | C48—C49—H49 | 119.7 |
| W2—S5—Ag1 | 128.34 (4) | C50—C49—H49 | 119.7 |
| Ag4—S5—Ag1 | 92.22 (4) | C49—C50—C45 | 120.0 (5) |
| Ag3—S5—Ag1 | 150.82 (5) | C49—C50—H50 | 120.0 |
| W2—S5—Ag2 | 114.86 (4) | C45—C50—H50 | 120.0 |
| Ag4—S5—Ag2 | 167.86 (5) | C56—C51—C52 | 119.1 (5) |
| Ag3—S5—Ag2 | 77.31 (3) | C56—C51—P3 | 123.5 (4) |
| Ag1—S5—Ag2 | 83.40 (3) | C52—C51—P3 | 117.4 (4) |
| W2—S6—Ag3 | 78.81 (4) | C51—C52—C53 | 120.6 (6) |
| W2—S7—Ag4 | 75.45 (3) | C51—C52—H52 | 119.7 |
| C1—P1—C7 | 106.7 (2) | C53—C52—H52 | 119.7 |
| C1—P1—C13 | 101.0 (2) | C54—C53—C52 | 119.9 (5) |
| C7—P1—C13 | 104.3 (2) | C54—C53—H53 | 120.0 |
| C1—P1—Ag1 | 111.83 (16) | C52—C53—H53 | 120.0 |
| C7—P1—Ag1 | 112.73 (15) | C53—C54—C55 | 120.3 (5) |
| C13—P1—Ag1 | 119.05 (14) | C53—C54—H54 | 119.8 |
| C70—P2—C64 | 102.5 (2) | C55—C54—H54 | 119.8 |
| C70—P2—C63 | 104.0 (2) | C56—C55—C54 | 119.7 (6) |
| C64—P2—C63 | 106.9 (2) | C56—C55—H55 | 120.1 |
| C70—P2—Ag2 | 113.57 (15) | C54—C55—H55 | 120.1 |
| C64—P2—Ag2 | 111.52 (15) | C51—C56—C55 | 120.4 (5) |
| C63—P2—Ag2 | 116.97 (15) | C51—C56—H56 | 119.8 |
| C57—P3—C51 | 103.1 (2) | C55—C56—H56 | 119.8 |
| C57—P3—C63 | 103.1 (2) | C62—C57—C58 | 119.2 (4) |
| C51—P3—C63 | 103.4 (2) | C62—C57—P3 | 120.5 (3) |
| C57—P3—Ag3 | 122.93 (15) | C58—C57—P3 | 120.2 (3) |
| C51—P3—Ag3 | 109.79 (15) | C59—C58—C57 | 120.2 (4) |
| C63—P3—Ag3 | 112.48 (15) | C59—C58—H58 | 119.9 |
| C39—P4—C45 | 104.2 (2) | C57—C58—H58 | 119.9 |
| C39—P4—C38 | 102.7 (2) | C58—C59—C60 | 120.2 (5) |
| C45—P4—C38 | 101.0 (2) | C58—C59—H59 | 119.9 |
| C39—P4—Ag3 | 124.25 (15) | C60—C59—H59 | 119.9 |
| C45—P4—Ag3 | 110.63 (15) | C61—C60—C59 | 120.5 (4) |
| C38—P4—Ag3 | 111.39 (15) | C61—C60—H60 | 119.7 |
| C32—P5—C26 | 103.6 (2) | C59—C60—H60 | 119.7 |
| C32—P5—C38 | 100.7 (2) | C60—C61—C62 | 120.1 (4) |
| C26—P5—C38 | 105.3 (2) | C60—C61—H61 | 120.0 |
| C32—P5—Ag4 | 112.51 (15) | C62—C61—H61 | 120.0 |
| C26—P5—Ag4 | 109.23 (15) | C57—C62—C61 | 119.8 (4) |
| C38—P5—Ag4 | 123.52 (15) | C57—C62—H62 | 120.1 |
| C14—P6—C20 | 103.7 (2) | C61—C62—H62 | 120.1 |
| C14—P6—C13 | 107.2 (2) | P2—C63—P3 | 112.0 (2) |
| C20—P6—C13 | 103.2 (2) | P2—C63—H63A | 109.2 |
| C14—P6—Ag4 | 121.93 (15) | P3—C63—H63A | 109.2 |
| C20—P6—Ag4 | 108.08 (14) | P2—C63—H63B | 109.2 |
| C13—P6—Ag4 | 110.97 (15) | P3—C63—H63B | 109.2 |
| C6—C1—C2 | 119.4 (5) | H63A—C63—H63B | 107.9 |
| C6—C1—P1 | 123.9 (4) | C69—C64—C65 | 118.7 (4) |
| C2—C1—P1 | 116.7 (4) | C69—C64—P2 | 118.9 (4) |
| C3—C2—C1 | 119.9 (6) | C65—C64—P2 | 122.4 (4) |
| C3—C2—H2 | 120.1 | C64—C65—C66 | 120.7 (5) |
| C1—C2—H2 | 120.1 | C64—C65—H65 | 119.6 |
| C2—C3—C4 | 119.8 (6) | C66—C65—H65 | 119.6 |
| C2—C3—H3 | 120.1 | C67—C66—C65 | 120.0 (5) |
| C4—C3—H3 | 120.1 | C67—C66—H66 | 120.0 |
| C5—C4—C3 | 120.6 (6) | C65—C66—H66 | 120.0 |
| C5—C4—H4 | 119.7 | C66—C67—C68 | 120.3 (5) |
| C3—C4—H4 | 119.7 | C66—C67—H67 | 119.9 |
| C4—C5—C6 | 120.1 (6) | C68—C67—H67 | 119.9 |
| C4—C5—H5 | 120.0 | C67—C68—C69 | 119.6 (5) |
| C6—C5—H5 | 120.0 | C67—C68—H68 | 120.2 |
| C1—C6—C5 | 120.2 (6) | C69—C68—H68 | 120.2 |
| C1—C6—H6 | 119.9 | C64—C69—C68 | 120.7 (5) |
| C5—C6—H6 | 119.9 | C64—C69—H69 | 119.7 |
| C12—C7—C8 | 119.3 (4) | C68—C69—H69 | 119.7 |
| C12—C7—P1 | 123.2 (4) | C71—C70—C75 | 119.5 (4) |
| C8—C7—P1 | 117.6 (4) | C71—C70—P2 | 123.7 (4) |
| C9—C8—C7 | 120.7 (5) | C75—C70—P2 | 116.8 (3) |
| C9—C8—H8 | 119.6 | C70—C71—C72 | 120.0 (4) |
| C7—C8—H8 | 119.6 | C70—C71—H71 | 120.0 |
| C8—C9—C10 | 119.4 (5) | C72—C71—H71 | 120.0 |
| C8—C9—H9 | 120.3 | C73—C72—C71 | 120.2 (4) |
| C10—C9—H9 | 120.3 | C73—C72—H72 | 119.9 |
| C9—C10—C11 | 120.8 (5) | C71—C72—H72 | 119.9 |
| C9—C10—H10 | 119.6 | C72—C73—C74 | 120.2 (4) |
| C11—C10—H10 | 119.6 | C72—C73—H73 | 119.9 |
| C12—C11—C10 | 120.2 (5) | C74—C73—H73 | 119.9 |
| C12—C11—H11 | 119.9 | C75—C74—C73 | 119.6 (5) |
| C10—C11—H11 | 119.9 | C75—C74—H74 | 120.2 |
| C11—C12—C7 | 119.7 (5) | C73—C74—H74 | 120.2 |
| C11—C12—H12 | 120.2 | C74—C75—C70 | 120.4 (5) |
| C7—C12—H12 | 120.2 | C74—C75—H75 | 119.8 |
| P1—C13—P6 | 114.1 (2) | C70—C75—H75 | 119.8 |
| P1—C13—H13A | 108.7 | C76—N1—C77 | 121.0 (5) |
| P6—C13—H13A | 108.7 | C76—N1—C78 | 121.9 (4) |
| P1—C13—H13B | 108.7 | C77—N1—C78 | 117.1 (4) |
| P6—C13—H13B | 108.7 | O1—C76—N1 | 125.7 (5) |
| H13A—C13—H13B | 107.6 | O1—C76—H76 | 117.1 |
| C19—C14—C15 | 118.8 (4) | N1—C76—H76 | 117.1 |
| C19—C14—P6 | 122.1 (3) | N1—C77—H77A | 109.5 |
| C15—C14—P6 | 119.1 (4) | N1—C77—H77B | 109.5 |
| C16—C15—C14 | 120.5 (4) | H77A—C77—H77B | 109.5 |
| C16—C15—H15 | 119.7 | N1—C77—H77C | 109.5 |
| C14—C15—H15 | 119.7 | H77A—C77—H77C | 109.5 |
| C17—C16—C15 | 120.6 (5) | H77B—C77—H77C | 109.5 |
| C17—C16—H16 | 119.7 | N1—C78—H78A | 109.5 |
| C15—C16—H16 | 119.7 | N1—C78—H78B | 109.5 |
| C16—C17—C18 | 119.7 (5) | H78A—C78—H78B | 109.5 |
| C16—C17—H17 | 120.2 | N1—C78—H78C | 109.5 |
| C18—C17—H17 | 120.2 | H78A—C78—H78C | 109.5 |
| C19—C18—C17 | 120.0 (5) | H78B—C78—H78C | 109.5 |
| C19—C18—H18 | 120.0 | C79—N2—C81 | 125.7 (5) |
| C17—C18—H18 | 120.0 | C79—N2—C80 | 120.2 (5) |
| C14—C19—C18 | 120.4 (4) | C81—N2—C80 | 114.1 (5) |
| C14—C19—H19 | 119.8 | O2—C79—N2 | 125.1 (6) |
| C18—C19—H19 | 119.8 | O2—C79—H79 | 117.4 |
| C21—C20—C25 | 118.8 (4) | N2—C79—H79 | 117.4 |
| C21—C20—P6 | 123.1 (4) | N2—C80—H80A | 109.5 |
| C25—C20—P6 | 117.8 (4) | N2—C80—H80B | 109.5 |
| C22—C21—C20 | 120.7 (5) | H80A—C80—H80B | 109.5 |
| C22—C21—H21 | 119.7 | N2—C80—H80C | 109.5 |
| C20—C21—H21 | 119.7 | H80A—C80—H80C | 109.5 |
| C23—C22—C21 | 119.7 (5) | H80B—C80—H80C | 109.5 |
| C23—C22—H22 | 120.2 | N2—C81—H81A | 109.5 |
| C21—C22—H22 | 120.2 | N2—C81—H81B | 109.5 |
| C24—C23—C22 | 120.3 (5) | H81A—C81—H81B | 109.5 |
| C24—C23—H23 | 119.9 | N2—C81—H81C | 109.5 |
| C22—C23—H23 | 119.9 | H81A—C81—H81C | 109.5 |
| C23—C24—C25 | 120.5 (5) | H81B—C81—H81C | 109.5 |
| C23—C24—H24 | 119.8 |