| Literature DB >> 21201349 |
Guodong Tang, Jinfang Zhang, Chi Zhang, Lude Lu.
Abstract
Hexamethyl-phospho-ramide (hmp), tetra-thio-tungstate(VI), silver sulfide and lanthanum(III) nitrate are self-assembled to form discrete cations one-dimensional poylmeric anionic chains [AgWS(4)](n) (n) (-) in the title compound, {[La(NO(3))(2)(C(6)H(18)N(3)OP)(4)][AgWS(4)]}(n). The central La atom in the cation is coordinated by eight O atoms from two nitrate and four hmp ligands. Together with the two nitrate ligands, the cation is monovalent, which leads to the anionic chain having a monovalent repeat unit. The polymeric anionic chain with W⋯Ag⋯W and Ag⋯W⋯Ag angles of 165.94 (3) and 155.894 (14)° presents a distorted linear configuration. Five N atoms, 18 C atoms and their attached H atoms are disordered equally over two positions.Entities:
Year: 2008 PMID: 21201349 PMCID: PMC2960413 DOI: 10.1107/S1600536807066597
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [La(NO3)2(C6H18N3OP)4][AgWS4] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 19164 reflections |
| θ = 3.1–25.3º | |
| µ = 3.52 mm−1 | |
| β = 90.502 (3)º | Block, orange–red |
| 0.50 × 0.42 × 0.38 mm | |
| Rigaku Mercury diffractometer | 10031 independent reflections |
| Radiation source: fine-focus sealed tube | 8984 reflections with |
| Monochromator: graphite | |
| Detector resolution: 7.31 pixels mm-1 | θmax = 25.4º |
| θmin = 3.2º | |
| ω scans | |
| Absorption correction: multi-scan(SADABS; Sheldrick, 1996) | |
| 50056 measured reflections |
| Refinement on | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| H-atom parameters constrained | |
| | |
| (Δ/σ)max = 0.003 | |
| 10031 reflections | Δρmax = 1.07 e Å−3 |
| 462 parameters | Δρmin = −1.90 e Å−3 |
| 32 restraints | Extinction correction: none |
| Primary atom site location: structure-invariant direct methods |
| 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 |
| Occ. (<1) | |||||
| W1 | 0.21336 (2) | 0.229586 (11) | 0.47656 (3) | 0.04668 (12) | |
| La1 | 0.73680 (3) | 0.416357 (14) | 0.34214 (4) | 0.04265 (13) | |
| Ag1 | 0.21350 (6) | 0.23828 (3) | 0.21889 (6) | 0.0770 (2) | |
| S1 | 0.09980 (16) | 0.21700 (11) | 0.3727 (2) | 0.0748 (7) | |
| S2 | 0.32665 (16) | 0.21611 (11) | 0.3745 (2) | 0.0768 (8) | |
| S3 | 0.21282 (17) | 0.18414 (8) | 0.6261 (2) | 0.0658 (6) | |
| S4 | 0.21416 (19) | 0.30013 (8) | 0.5270 (2) | 0.0727 (7) | |
| P1 | 0.6905 (2) | 0.52880 (9) | 0.1910 (2) | 0.0736 (7) | |
| P2 | 0.51582 (13) | 0.36353 (8) | 0.3300 (2) | 0.0551 (5) | |
| P3 | 0.96668 (14) | 0.40731 (9) | 0.2457 (3) | 0.0683 (7) | |
| P4 | 0.7965 (2) | 0.34795 (10) | 0.6129 (2) | 0.0765 (8) | |
| O1 | 0.7508 (6) | 0.3388 (3) | 0.2430 (8) | 0.0964 (14) | |
| O2 | 0.7254 (6) | 0.3932 (3) | 0.1255 (7) | 0.0964 (14) | |
| O3 | 0.7253 (6) | 0.3263 (3) | 0.0613 (7) | 0.0964 (14) | |
| O4 | 0.7954 (5) | 0.4739 (3) | 0.4923 (7) | 0.0887 (13) | |
| O5 | 0.6637 (5) | 0.4594 (3) | 0.5105 (7) | 0.0887 (13) | |
| O6 | 0.7271 (5) | 0.4970 (3) | 0.6433 (7) | 0.0887 (13) | |
| O7 | 0.7072 (4) | 0.48424 (18) | 0.2374 (6) | 0.0679 (17) | |
| O8 | 0.5952 (3) | 0.38996 (19) | 0.3351 (5) | 0.0573 (14) | |
| O9 | 0.8827 (3) | 0.4191 (2) | 0.2935 (6) | 0.0667 (17) | |
| O10 | 0.7731 (4) | 0.3691 (2) | 0.5022 (6) | 0.0700 (17) | |
| N1 | 0.7346 (6) | 0.3524 (4) | 0.1427 (9) | 0.090 (3) | |
| N2 | 0.7295 (7) | 0.4776 (3) | 0.5514 (8) | 0.081 (3) | |
| N3 | 0.7556 (9) | 0.5664 (3) | 0.2417 (13) | 0.128 (4) | |
| N4 | 0.7075 (8) | 0.5308 (4) | 0.0529 (8) | 0.111 (4) | |
| N5 | 0.5964 (9) | 0.5450 (4) | 0.2264 (11) | 0.147 (6) | |
| N6 | 0.5012 (5) | 0.3417 (3) | 0.2041 (8) | 0.083 (3) | |
| N7 | 0.5174 (5) | 0.3229 (3) | 0.4237 (8) | 0.081 (2) | |
| N8 | 0.4369 (4) | 0.3963 (3) | 0.3588 (7) | 0.069 (2) | |
| N9 | 0.9891 (7) | 0.3543 (5) | 0.2371 (16) | 0.149 (6) | |
| N10 | 1.0346 (11) | 0.4398 (7) | 0.2820 (17) | 0.086 (4)* | 0.50 |
| N10' | 1.0389 (12) | 0.4211 (6) | 0.3363 (17) | 0.086 (4)* | 0.50 |
| N11 | 0.9609 (14) | 0.4042 (7) | 0.103 (2) | 0.093 (4)* | 0.50 |
| N11' | 0.9732 (14) | 0.4250 (7) | 0.1080 (19) | 0.093 (4)* | 0.50 |
| N12 | 0.8974 (14) | 0.3616 (7) | 0.642 (2) | 0.102 (5)* | 0.50 |
| N12' | 0.8564 (14) | 0.3715 (8) | 0.700 (2) | 0.102 (5)* | 0.50 |
| N13 | 0.7778 (12) | 0.2976 (6) | 0.6083 (16) | 0.086 (4)* | 0.50 |
| N13' | 0.8541 (12) | 0.3015 (6) | 0.5863 (15) | 0.086 (4)* | 0.50 |
| N14 | 0.7403 (14) | 0.3730 (8) | 0.7122 (19) | 0.108 (5)* | 0.50 |
| N14' | 0.7166 (14) | 0.3280 (8) | 0.684 (2) | 0.108 (5)* | 0.50 |
| C1 | 0.8422 (17) | 0.5726 (16) | 0.204 (4) | 0.200 (10)* | 0.50 |
| H1A | 0.8673 | 0.5967 | 0.2471 | 0.300* | 0.50 |
| H1B | 0.8429 | 0.5793 | 0.1231 | 0.300* | 0.50 |
| H1C | 0.8736 | 0.5458 | 0.2188 | 0.300* | 0.50 |
| C1' | 0.780 (3) | 0.576 (2) | 0.358 (3) | 0.200 (10)* | 0.50 |
| H1'A | 0.8200 | 0.5999 | 0.3582 | 0.300* | 0.50 |
| H1'B | 0.8049 | 0.5501 | 0.3921 | 0.300* | 0.50 |
| H1'C | 0.7312 | 0.5846 | 0.4011 | 0.300* | 0.50 |
| C2 | 0.745 (3) | 0.586 (2) | 0.354 (3) | 0.200 (10)* | 0.50 |
| H2A | 0.7892 | 0.6072 | 0.3683 | 0.300* | 0.50 |
| H2B | 0.7478 | 0.5631 | 0.4125 | 0.300* | 0.50 |
| H2C | 0.6915 | 0.6006 | 0.3578 | 0.300* | 0.50 |
| C2' | 0.716 (3) | 0.6095 (10) | 0.220 (4) | 0.200 (10)* | 0.50 |
| H2'A | 0.7507 | 0.6328 | 0.2510 | 0.300* | 0.50 |
| H2'B | 0.6618 | 0.6103 | 0.2573 | 0.300* | 0.50 |
| H2'C | 0.7083 | 0.6137 | 0.1382 | 0.300* | 0.50 |
| C3 | 0.7228 (19) | 0.4955 (9) | −0.025 (2) | 0.116 (7)* | 0.50 |
| H3A | 0.7313 | 0.5072 | −0.1017 | 0.175* | 0.50 |
| H3B | 0.6752 | 0.4758 | −0.0264 | 0.175* | 0.50 |
| H3C | 0.7721 | 0.4794 | −0.0008 | 0.175* | 0.50 |
| C3' | 0.6771 (19) | 0.4955 (9) | −0.018 (3) | 0.116 (7)* | 0.50 |
| H3'A | 0.6917 | 0.5011 | −0.0975 | 0.175* | 0.50 |
| H3'B | 0.6170 | 0.4936 | −0.0117 | 0.175* | 0.50 |
| H3'C | 0.7020 | 0.4680 | 0.0068 | 0.175* | 0.50 |
| C4 | 0.730 (3) | 0.5756 (9) | 0.013 (4) | 0.154 (10)* | 0.50 |
| H4A | 0.7398 | 0.5749 | −0.0692 | 0.231* | 0.50 |
| H4B | 0.7802 | 0.5853 | 0.0523 | 0.231* | 0.50 |
| H4C | 0.6849 | 0.5958 | 0.0292 | 0.231* | 0.50 |
| C4' | 0.701 (3) | 0.5686 (10) | −0.027 (3) | 0.154 (10)* | 0.50 |
| H4'A | 0.7143 | 0.5591 | −0.1043 | 0.231* | 0.50 |
| H4'B | 0.7390 | 0.5916 | −0.0034 | 0.231* | 0.50 |
| H4'C | 0.6441 | 0.5799 | −0.0265 | 0.231* | 0.50 |
| C5 | 0.546 (2) | 0.5814 (10) | 0.178 (3) | 0.143 (9)* | 0.50 |
| H5A | 0.4919 | 0.5818 | 0.2143 | 0.214* | 0.50 |
| H5B | 0.5390 | 0.5771 | 0.0961 | 0.214* | 0.50 |
| H5C | 0.5742 | 0.6091 | 0.1921 | 0.214* | 0.50 |
| C5' | 0.588 (2) | 0.5938 (7) | 0.224 (3) | 0.143 (9)* | 0.50 |
| H5'A | 0.5323 | 0.6021 | 0.2455 | 0.214* | 0.50 |
| H5'B | 0.5999 | 0.6045 | 0.1474 | 0.214* | 0.50 |
| H5'C | 0.6280 | 0.6066 | 0.2780 | 0.214* | 0.50 |
| C6 | 0.533 (2) | 0.5177 (13) | 0.282 (4) | 0.122 (7)* | 0.50 |
| H6A | 0.4829 | 0.5351 | 0.2936 | 0.184* | 0.50 |
| H6B | 0.5539 | 0.5073 | 0.3551 | 0.184* | 0.50 |
| H6C | 0.5197 | 0.4928 | 0.2330 | 0.184* | 0.50 |
| C6' | 0.532 (2) | 0.5122 (13) | 0.250 (4) | 0.122 (7)* | 0.50 |
| H6'A | 0.4807 | 0.5268 | 0.2687 | 0.184* | 0.50 |
| H6'B | 0.5501 | 0.4938 | 0.3135 | 0.184* | 0.50 |
| H6'C | 0.5240 | 0.4940 | 0.1820 | 0.184* | 0.50 |
| C7 | 0.5137 (9) | 0.3685 (6) | 0.1023 (12) | 0.134 (6) | |
| H7A | 0.5030 | 0.3509 | 0.0343 | 0.201* | |
| H7B | 0.5707 | 0.3791 | 0.1012 | 0.201* | |
| H7C | 0.4758 | 0.3934 | 0.1035 | 0.201* | |
| C8 | 0.4660 (10) | 0.2969 (5) | 0.1868 (15) | 0.145 (7) | |
| H8A | 0.4630 | 0.2904 | 0.1054 | 0.218* | |
| H8B | 0.4105 | 0.2956 | 0.2191 | 0.218* | |
| H8C | 0.5015 | 0.2754 | 0.2248 | 0.218* | |
| C9 | 0.4528 (8) | 0.3133 (5) | 0.5070 (11) | 0.106 (4) | |
| H9A | 0.4687 | 0.2878 | 0.5520 | 0.159* | |
| H9B | 0.4007 | 0.3075 | 0.4671 | 0.159* | |
| H9C | 0.4459 | 0.3384 | 0.5576 | 0.159* | |
| C10 | 0.5850 (8) | 0.2909 (4) | 0.4234 (13) | 0.112 (4) | |
| H10A | 0.5762 | 0.2695 | 0.4839 | 0.167* | |
| H10B | 0.6376 | 0.3059 | 0.4364 | 0.167* | |
| H10C | 0.5861 | 0.2760 | 0.3498 | 0.167* | |
| C11 | 0.4436 (7) | 0.4301 (4) | 0.4476 (12) | 0.106 (4) | |
| H11A | 0.3914 | 0.4461 | 0.4523 | 0.159* | |
| H11B | 0.4881 | 0.4504 | 0.4284 | 0.159* | |
| H11C | 0.4558 | 0.4164 | 0.5210 | 0.159* | |
| C12 | 0.3513 (6) | 0.3858 (5) | 0.3196 (11) | 0.105 (4) | |
| H12A | 0.3135 | 0.4087 | 0.3447 | 0.157* | |
| H12B | 0.3342 | 0.3578 | 0.3520 | 0.157* | |
| H12C | 0.3499 | 0.3840 | 0.2365 | 0.157* | |
| C13 | 0.961 (2) | 0.3356 (13) | 0.107 (3) | 0.141 (9)* | 0.50 |
| H13A | 0.9734 | 0.3044 | 0.1013 | 0.211* | 0.50 |
| H13B | 0.9908 | 0.3515 | 0.0482 | 0.211* | 0.50 |
| H13C | 0.9012 | 0.3400 | 0.0957 | 0.211* | 0.50 |
| C13' | 0.960 (2) | 0.3183 (12) | 0.184 (3) | 0.141 (9)* | 0.50 |
| H13D | 0.9508 | 0.2952 | 0.2394 | 0.211* | 0.50 |
| H13E | 0.9999 | 0.3085 | 0.1273 | 0.211* | 0.50 |
| H13F | 0.9076 | 0.3253 | 0.1453 | 0.211* | 0.50 |
| C14 | 0.989 (3) | 0.3235 (16) | 0.330 (4) | 0.179 (13)* | 0.50 |
| H14A | 1.0061 | 0.3383 | 0.4004 | 0.269* | 0.50 |
| H14B | 1.0274 | 0.2997 | 0.3142 | 0.269* | 0.50 |
| H14C | 0.9333 | 0.3117 | 0.3397 | 0.269* | 0.50 |
| C14' | 1.035 (3) | 0.3434 (16) | 0.359 (4) | 0.179 (13)* | 0.50 |
| H14D | 1.0328 | 0.3692 | 0.4081 | 0.269* | 0.50 |
| H14E | 1.0920 | 0.3352 | 0.3462 | 0.269* | 0.50 |
| H14F | 1.0058 | 0.3193 | 0.3966 | 0.269* | 0.50 |
| C15 | 1.1257 (14) | 0.4301 (11) | 0.270 (3) | 0.129 (7)* | 0.50 |
| H15A | 1.1579 | 0.4549 | 0.2981 | 0.194* | 0.50 |
| H15B | 1.1383 | 0.4251 | 0.1896 | 0.194* | 0.50 |
| H15C | 1.1398 | 0.4041 | 0.3140 | 0.194* | 0.50 |
| C15' | 1.1219 (16) | 0.3990 (11) | 0.344 (3) | 0.129 (7)* | 0.50 |
| H15D | 1.1546 | 0.4124 | 0.4054 | 0.194* | 0.50 |
| H15E | 1.1509 | 0.4023 | 0.2720 | 0.194* | 0.50 |
| H15F | 1.1142 | 0.3680 | 0.3606 | 0.194* | 0.50 |
| C16 | 1.0160 (19) | 0.4804 (8) | 0.340 (2) | 0.114 (7)* | 0.50 |
| H16A | 1.0674 | 0.4961 | 0.3568 | 0.170* | 0.50 |
| H16B | 0.9878 | 0.4740 | 0.4119 | 0.170* | 0.50 |
| H16C | 0.9802 | 0.4984 | 0.2922 | 0.170* | 0.50 |
| C16' | 1.0289 (19) | 0.4639 (8) | 0.398 (2) | 0.114 (7)* | 0.50 |
| H16D | 1.0755 | 0.4682 | 0.4505 | 0.170* | 0.50 |
| H16E | 0.9773 | 0.4636 | 0.4408 | 0.170* | 0.50 |
| H16F | 1.0274 | 0.4878 | 0.3427 | 0.170* | 0.50 |
| C17 | 1.021 (2) | 0.3844 (14) | 0.026 (3) | 0.163 (11)* | 0.50 |
| H17A | 1.0021 | 0.3880 | −0.0525 | 0.245* | 0.50 |
| H17B | 1.0264 | 0.3533 | 0.0438 | 0.245* | 0.50 |
| H17C | 1.0746 | 0.3987 | 0.0364 | 0.245* | 0.50 |
| C17' | 1.048 (2) | 0.4179 (14) | 0.039 (3) | 0.163 (11)* | 0.50 |
| H17D | 1.0404 | 0.4306 | −0.0367 | 0.245* | 0.50 |
| H17E | 1.0589 | 0.3866 | 0.0316 | 0.245* | 0.50 |
| H17F | 1.0958 | 0.4319 | 0.0764 | 0.245* | 0.50 |
| C18 | 0.910 (2) | 0.4375 (10) | 0.042 (3) | 0.132 (8)* | 0.50 |
| H18A | 0.9126 | 0.4323 | −0.0400 | 0.197* | 0.50 |
| H18B | 0.9312 | 0.4666 | 0.0592 | 0.197* | 0.50 |
| H18C | 0.8525 | 0.4353 | 0.0668 | 0.197* | 0.50 |
| C18' | 0.918 (2) | 0.4601 (10) | 0.070 (3) | 0.132 (8)* | 0.50 |
| H18D | 0.9285 | 0.4669 | −0.0100 | 0.197* | 0.50 |
| H18E | 0.9273 | 0.4862 | 0.1164 | 0.197* | 0.50 |
| H18F | 0.8602 | 0.4507 | 0.0779 | 0.197* | 0.50 |
| C19 | 0.946 (3) | 0.3996 (11) | 0.610 (4) | 0.160 (10)* | 0.50 |
| H19A | 1.0020 | 0.3967 | 0.6419 | 0.240* | 0.50 |
| H19B | 0.9203 | 0.4259 | 0.6402 | 0.240* | 0.50 |
| H19C | 0.9491 | 0.4015 | 0.5271 | 0.240* | 0.50 |
| C19' | 0.833 (2) | 0.3884 (13) | 0.811 (3) | 0.160 (10)* | 0.50 |
| H19D | 0.8814 | 0.4020 | 0.8470 | 0.240* | 0.50 |
| H19E | 0.8137 | 0.3644 | 0.8584 | 0.240* | 0.50 |
| H19F | 0.7894 | 0.4100 | 0.8013 | 0.240* | 0.50 |
| C20 | 0.954 (2) | 0.3283 (12) | 0.689 (3) | 0.165 (11)* | 0.50 |
| H20A | 1.0089 | 0.3411 | 0.7002 | 0.247* | 0.50 |
| H20B | 0.9578 | 0.3037 | 0.6360 | 0.247* | 0.50 |
| H20C | 0.9330 | 0.3180 | 0.7620 | 0.247* | 0.50 |
| C20' | 0.917 (3) | 0.4032 (12) | 0.661 (4) | 0.165 (11)* | 0.50 |
| H20D | 0.9474 | 0.4149 | 0.7262 | 0.247* | 0.50 |
| H20E | 0.8884 | 0.4269 | 0.6211 | 0.247* | 0.50 |
| H20F | 0.9553 | 0.3889 | 0.6089 | 0.247* | 0.50 |
| C21 | 0.8011 (16) | 0.2713 (9) | 0.510 (2) | 0.092 (5)* | 0.50 |
| H21A | 0.7845 | 0.2409 | 0.5220 | 0.138* | 0.50 |
| H21B | 0.8610 | 0.2726 | 0.4998 | 0.138* | 0.50 |
| H21C | 0.7735 | 0.2826 | 0.4415 | 0.138* | 0.50 |
| C21' | 0.8366 (17) | 0.2732 (9) | 0.488 (2) | 0.092 (5)* | 0.50 |
| H21D | 0.8760 | 0.2490 | 0.4878 | 0.138* | 0.50 |
| H21E | 0.8416 | 0.2900 | 0.4181 | 0.138* | 0.50 |
| H21F | 0.7804 | 0.2617 | 0.4943 | 0.138* | 0.50 |
| C22 | 0.762 (3) | 0.2714 (13) | 0.712 (3) | 0.171 (11)* | 0.50 |
| H22A | 0.7528 | 0.2408 | 0.6912 | 0.256* | 0.50 |
| H22B | 0.7123 | 0.2826 | 0.7500 | 0.256* | 0.50 |
| H22C | 0.8090 | 0.2735 | 0.7643 | 0.256* | 0.50 |
| C22' | 0.920 (2) | 0.2833 (14) | 0.661 (3) | 0.171 (11)* | 0.50 |
| H22D | 0.9425 | 0.2568 | 0.6270 | 0.256* | 0.50 |
| H22E | 0.8968 | 0.2763 | 0.7358 | 0.256* | 0.50 |
| H22F | 0.9641 | 0.3049 | 0.6709 | 0.256* | 0.50 |
| C23 | 0.749 (3) | 0.3828 (14) | 0.834 (2) | 0.167 (11)* | 0.50 |
| H23A | 0.6990 | 0.3977 | 0.8603 | 0.250* | 0.50 |
| H23B | 0.7968 | 0.4015 | 0.8466 | 0.250* | 0.50 |
| H23C | 0.7559 | 0.3556 | 0.8765 | 0.250* | 0.50 |
| C23' | 0.710 (3) | 0.2848 (11) | 0.740 (3) | 0.167 (11)* | 0.50 |
| H23D | 0.6558 | 0.2817 | 0.7737 | 0.250* | 0.50 |
| H23E | 0.7528 | 0.2825 | 0.7995 | 0.250* | 0.50 |
| H23G | 0.7188 | 0.2617 | 0.6836 | 0.250* | 0.50 |
| C24 | 0.6495 (17) | 0.3780 (13) | 0.699 (4) | 0.140 (9)* | 0.50 |
| H24A | 0.6274 | 0.3930 | 0.7653 | 0.210* | 0.50 |
| H24D | 0.6240 | 0.3492 | 0.6919 | 0.210* | 0.50 |
| H24B | 0.6374 | 0.3950 | 0.6302 | 0.210* | 0.50 |
| C24' | 0.650 (2) | 0.3596 (12) | 0.708 (4) | 0.140 (9)* | 0.50 |
| H24C | 0.6056 | 0.3449 | 0.7491 | 0.210* | 0.50 |
| H24G | 0.6277 | 0.3712 | 0.6359 | 0.210* | 0.50 |
| H24E | 0.6718 | 0.3836 | 0.7537 | 0.210* | 0.50 |
| W1 | 0.0533 (2) | 0.0542 (2) | 0.03251 (17) | −0.00338 (15) | −0.00248 (13) | 0.00355 (13) |
| La1 | 0.0354 (2) | 0.0342 (2) | 0.0583 (3) | −0.00025 (17) | −0.00119 (19) | 0.00055 (19) |
| Ag1 | 0.1111 (7) | 0.0849 (6) | 0.0349 (4) | 0.0012 (5) | −0.0010 (4) | 0.0025 (3) |
| S1 | 0.0606 (14) | 0.112 (2) | 0.0514 (13) | −0.0217 (14) | −0.0098 (11) | 0.0068 (13) |
| S2 | 0.0584 (14) | 0.121 (2) | 0.0511 (13) | 0.0100 (14) | 0.0028 (11) | 0.0030 (14) |
| S3 | 0.0926 (17) | 0.0554 (13) | 0.0492 (12) | 0.0010 (12) | −0.0029 (12) | 0.0122 (10) |
| S4 | 0.111 (2) | 0.0519 (13) | 0.0558 (13) | −0.0072 (13) | 0.0009 (13) | 0.0083 (11) |
| P1 | 0.102 (2) | 0.0526 (14) | 0.0664 (16) | 0.0230 (14) | 0.0073 (14) | 0.0130 (12) |
| P2 | 0.0386 (10) | 0.0595 (13) | 0.0672 (14) | −0.0086 (10) | −0.0023 (10) | −0.0078 (11) |
| P3 | 0.0387 (11) | 0.0731 (16) | 0.0931 (19) | 0.0042 (11) | 0.0102 (12) | 0.0047 (14) |
| P4 | 0.098 (2) | 0.0694 (17) | 0.0616 (15) | 0.0005 (15) | −0.0249 (14) | 0.0056 (13) |
| O1 | 0.130 (4) | 0.073 (3) | 0.087 (3) | 0.012 (3) | −0.001 (3) | −0.018 (2) |
| O2 | 0.130 (4) | 0.073 (3) | 0.087 (3) | 0.012 (3) | −0.001 (3) | −0.018 (2) |
| O3 | 0.130 (4) | 0.073 (3) | 0.087 (3) | 0.012 (3) | −0.001 (3) | −0.018 (2) |
| O4 | 0.082 (3) | 0.087 (3) | 0.096 (3) | 0.007 (2) | −0.011 (2) | −0.037 (2) |
| O5 | 0.082 (3) | 0.087 (3) | 0.096 (3) | 0.007 (2) | −0.011 (2) | −0.037 (2) |
| O6 | 0.082 (3) | 0.087 (3) | 0.096 (3) | 0.007 (2) | −0.011 (2) | −0.037 (2) |
| O7 | 0.078 (4) | 0.037 (3) | 0.088 (5) | 0.002 (3) | −0.006 (3) | 0.013 (3) |
| O8 | 0.039 (3) | 0.060 (4) | 0.072 (4) | −0.010 (3) | 0.002 (3) | −0.003 (3) |
| O9 | 0.036 (3) | 0.064 (4) | 0.100 (5) | 0.002 (3) | 0.011 (3) | −0.007 (3) |
| O10 | 0.078 (4) | 0.056 (4) | 0.076 (4) | 0.002 (3) | −0.017 (3) | 0.016 (3) |
| N1 | 0.087 (6) | 0.094 (7) | 0.090 (7) | 0.009 (5) | 0.015 (5) | −0.057 (6) |
| N2 | 0.110 (7) | 0.058 (5) | 0.073 (5) | 0.025 (5) | −0.031 (5) | −0.028 (4) |
| N3 | 0.179 (12) | 0.041 (5) | 0.164 (11) | −0.014 (6) | 0.039 (10) | 0.003 (6) |
| N4 | 0.171 (11) | 0.089 (7) | 0.073 (6) | 0.031 (7) | 0.013 (7) | 0.027 (5) |
| N5 | 0.178 (12) | 0.129 (10) | 0.134 (10) | 0.096 (10) | 0.058 (9) | 0.074 (8) |
| N6 | 0.068 (5) | 0.108 (7) | 0.074 (6) | −0.004 (5) | −0.012 (4) | −0.028 (5) |
| N7 | 0.063 (5) | 0.074 (6) | 0.105 (7) | −0.009 (4) | 0.009 (5) | 0.015 (5) |
| N8 | 0.039 (4) | 0.087 (6) | 0.082 (5) | −0.004 (4) | 0.002 (4) | −0.014 (5) |
| N9 | 0.076 (7) | 0.143 (12) | 0.229 (17) | 0.000 (7) | 0.029 (9) | −0.079 (12) |
| C7 | 0.116 (11) | 0.203 (18) | 0.082 (9) | 0.012 (11) | −0.036 (8) | 0.002 (10) |
| C8 | 0.135 (13) | 0.120 (12) | 0.179 (16) | −0.018 (10) | −0.036 (12) | −0.078 (12) |
| C9 | 0.101 (9) | 0.116 (11) | 0.100 (9) | −0.023 (8) | 0.011 (7) | 0.015 (8) |
| C10 | 0.107 (10) | 0.084 (9) | 0.145 (13) | 0.007 (8) | 0.025 (9) | 0.027 (8) |
| C11 | 0.074 (7) | 0.113 (10) | 0.132 (11) | 0.005 (7) | 0.015 (7) | −0.040 (9) |
| C12 | 0.049 (6) | 0.149 (12) | 0.116 (10) | 0.012 (7) | −0.013 (6) | 0.005 (9) |
| W1—S1 | 2.189 (2) | C3'—H3'C | 0.9600 |
| W1—S2 | 2.196 (3) | C4—H4A | 0.9600 |
| W1—S4 | 2.199 (3) | C4—H4B | 0.9600 |
| W1—S3 | 2.200 (2) | C4—H4C | 0.9600 |
| W1—Ag1i | 2.9561 (8) | C4'—H4'A | 0.9600 |
| W1—Ag1 | 2.9819 (8) | C4'—H4'B | 0.9600 |
| La1—O8 | 2.386 (5) | C4'—H4'C | 0.9600 |
| La1—O9 | 2.390 (5) | C5—H5A | 0.9600 |
| La1—O10 | 2.396 (6) | C5—H5B | 0.9600 |
| La1—O7 | 2.416 (5) | C5—H5C | 0.9600 |
| La1—O2 | 2.598 (8) | C5'—H5'A | 0.9600 |
| La1—O1 | 2.608 (7) | C5'—H5'B | 0.9600 |
| La1—O5 | 2.613 (7) | C5'—H5'C | 0.9600 |
| La1—O4 | 2.614 (7) | C6—H6A | 0.9600 |
| La1—N1 | 2.998 (8) | C6—H6B | 0.9600 |
| La1—N2 | 3.038 (8) | C6—H6C | 0.9600 |
| Ag1—S4ii | 2.496 (2) | C6'—H6'A | 0.9600 |
| Ag1—S3ii | 2.566 (3) | C6'—H6'B | 0.9600 |
| Ag1—S2 | 2.614 (3) | C6'—H6'C | 0.9600 |
| Ag1—S1 | 2.621 (3) | C7—H7A | 0.9600 |
| Ag1—W1ii | 2.9561 (8) | C7—H7B | 0.9600 |
| S3—Ag1i | 2.566 (3) | C7—H7C | 0.9600 |
| S4—Ag1i | 2.496 (2) | C8—H8A | 0.9600 |
| P1—O7 | 1.466 (6) | C8—H8B | 0.9600 |
| P1—N4 | 1.618 (10) | C8—H8C | 0.9600 |
| P1—N5 | 1.627 (12) | C9—H9A | 0.9600 |
| P1—N3 | 1.638 (13) | C9—H9B | 0.9600 |
| P2—O8 | 1.491 (5) | C9—H9C | 0.9600 |
| P2—N6 | 1.608 (8) | C10—H10A | 0.9600 |
| P2—N8 | 1.630 (8) | C10—H10B | 0.9600 |
| P2—N7 | 1.631 (9) | C10—H10C | 0.9600 |
| P3—O9 | 1.491 (6) | C11—H11A | 0.9600 |
| P3—N10 | 1.511 (19) | C11—H11B | 0.9600 |
| P3—N10' | 1.599 (19) | C11—H11C | 0.9600 |
| P3—N9 | 1.638 (15) | C12—H12A | 0.9600 |
| P3—N11 | 1.65 (2) | C12—H12B | 0.9600 |
| P3—N11' | 1.68 (2) | C12—H12C | 0.9600 |
| P4—O10 | 1.470 (6) | C13—H13A | 0.9600 |
| P4—N13 | 1.544 (19) | C13—H13B | 0.9600 |
| P4—N12' | 1.55 (2) | C13—H13C | 0.9600 |
| P4—N14' | 1.63 (2) | C13'—H13D | 0.9600 |
| P4—N14 | 1.64 (2) | C13'—H13E | 0.9600 |
| P4—N12 | 1.68 (2) | C13'—H13F | 0.9600 |
| P4—N13' | 1.699 (19) | C14—H14A | 0.9600 |
| O1—N1 | 1.251 (12) | C14—H14B | 0.9600 |
| O2—N1 | 1.252 (12) | C14—H14C | 0.9600 |
| O3—N1 | 1.231 (10) | C14'—H14D | 0.9600 |
| O4—N2 | 1.260 (11) | C14'—H14E | 0.9600 |
| O5—N2 | 1.267 (11) | C14'—H14F | 0.9600 |
| O6—N2 | 1.211 (10) | C15—H15A | 0.9600 |
| N3—C1' | 1.418 (19) | C15—H15B | 0.9600 |
| N3—C2 | 1.437 (19) | C15—H15C | 0.9600 |
| N3—C1 | 1.456 (19) | C15'—H15D | 0.9600 |
| N3—C2' | 1.462 (19) | C15'—H15E | 0.9600 |
| N4—C3 | 1.416 (17) | C15'—H15F | 0.9600 |
| N4—C3' | 1.423 (17) | C16—H16A | 0.9600 |
| N4—C4 | 1.467 (18) | C16—H16B | 0.9600 |
| N4—C4' | 1.468 (18) | C16—H16C | 0.9600 |
| N5—C6' | 1.444 (18) | C16'—H16D | 0.9600 |
| N5—C6 | 1.453 (18) | C16'—H16E | 0.9600 |
| N5—C5 | 1.462 (18) | C16'—H16F | 0.9600 |
| N5—C5' | 1.473 (18) | C17—H17A | 0.9600 |
| N6—C7 | 1.439 (16) | C17—H17B | 0.9600 |
| N6—C8 | 1.473 (16) | C17—H17C | 0.9600 |
| N7—C10 | 1.440 (14) | C17'—H17D | 0.9600 |
| N7—C9 | 1.441 (14) | C17'—H17E | 0.9600 |
| N8—C11 | 1.447 (14) | C17'—H17F | 0.9600 |
| N8—C12 | 1.464 (12) | C18—H18A | 0.9600 |
| N9—C13' | 1.33 (4) | C18—H18B | 0.9600 |
| N9—C14 | 1.42 (5) | C18—H18C | 0.9600 |
| N9—C14' | 1.61 (4) | C18'—H18D | 0.9600 |
| N9—C13 | 1.66 (4) | C18'—H18E | 0.9600 |
| N10—C16 | 1.427 (17) | C18'—H18F | 0.9600 |
| N10—C15 | 1.484 (17) | C19—H19A | 0.9600 |
| N10'—C15' | 1.479 (17) | C19—H19B | 0.9600 |
| N10'—C16' | 1.481 (17) | C19—H19C | 0.9600 |
| N11—C17 | 1.436 (18) | C19'—H19D | 0.9600 |
| N11—C18 | 1.464 (18) | C19'—H19E | 0.9600 |
| N11'—C18' | 1.443 (18) | C19'—H19F | 0.9600 |
| N11'—C17' | 1.458 (18) | C20—H20A | 0.9600 |
| N12—C19 | 1.429 (19) | C20—H20B | 0.9600 |
| N12—C20 | 1.450 (18) | C20—H20C | 0.9600 |
| N12'—C19' | 1.421 (18) | C20'—H20D | 0.9600 |
| N12'—C20' | 1.429 (19) | C20'—H20E | 0.9600 |
| N12'—N14 | 1.85 (3) | C20'—H20F | 0.9600 |
| N13—C21 | 1.435 (17) | C21—H21A | 0.9600 |
| N13—C22 | 1.460 (19) | C21—H21B | 0.9600 |
| N13'—C21' | 1.439 (17) | C21—H21C | 0.9600 |
| N13'—C22' | 1.459 (18) | C21'—H21D | 0.9600 |
| N14—C23 | 1.440 (18) | C21'—H21E | 0.9600 |
| N14—C24 | 1.457 (18) | C21'—H21F | 0.9600 |
| N14'—C24' | 1.454 (18) | C22—H22A | 0.9600 |
| N14'—C23' | 1.456 (18) | C22—H22B | 0.9600 |
| C1—H1A | 0.9600 | C22—H22C | 0.9600 |
| C1—H1B | 0.9600 | C22'—H22D | 0.9600 |
| C1—H1C | 0.9600 | C22'—H22E | 0.9600 |
| C1'—H1'A | 0.9600 | C22'—H22F | 0.9600 |
| C1'—H1'B | 0.9600 | C23—H23A | 0.9600 |
| C1'—H1'C | 0.9600 | C23—H23B | 0.9600 |
| C2—H2A | 0.9600 | C23—H23C | 0.9600 |
| C2—H2B | 0.9600 | C23'—H23D | 0.9600 |
| C2—H2C | 0.9600 | C23'—H23E | 0.9600 |
| C2'—H2'A | 0.9600 | C23'—H23G | 0.9600 |
| C2'—H2'B | 0.9600 | C24—H24A | 0.9600 |
| C2'—H2'C | 0.9600 | C24—H24D | 0.9600 |
| C3—H3A | 0.9600 | C24—H24B | 0.9600 |
| C3—H3B | 0.9600 | C24'—H24C | 0.9600 |
| C3—H3C | 0.9600 | C24'—H24G | 0.9600 |
| C3'—H3'A | 0.9600 | C24'—H24E | 0.9600 |
| C3'—H3'B | 0.9600 | ||
| S1—W1—S2 | 110.48 (10) | H1'A—C1'—H1'C | 109.5 |
| S1—W1—S4 | 108.31 (11) | H1'B—C1'—H1'C | 109.5 |
| S2—W1—S4 | 108.46 (12) | N3—C2—H2A | 109.5 |
| S1—W1—S3 | 108.21 (10) | N3—C2—H2B | 109.5 |
| S2—W1—S3 | 108.31 (10) | H2A—C2—H2B | 109.5 |
| S4—W1—S3 | 113.08 (9) | N3—C2—H2C | 109.5 |
| S1—W1—Ag1i | 124.56 (8) | H2A—C2—H2C | 109.5 |
| S2—W1—Ag1i | 124.95 (7) | H2B—C2—H2C | 109.5 |
| S4—W1—Ag1i | 55.59 (6) | N3—C2'—H2'A | 109.5 |
| S3—W1—Ag1i | 57.48 (7) | N3—C2'—H2'B | 109.5 |
| S1—W1—Ag1 | 58.54 (7) | H2'A—C2'—H2'B | 109.5 |
| S2—W1—Ag1 | 58.30 (7) | N3—C2'—H2'C | 109.5 |
| S4—W1—Ag1 | 100.30 (6) | H2'A—C2'—H2'C | 109.5 |
| S3—W1—Ag1 | 146.63 (7) | H2'B—C2'—H2'C | 109.5 |
| Ag1i—W1—Ag1 | 155.891 (14) | N4—C3—H3A | 109.5 |
| O8—La1—O9 | 156.8 (2) | N4—C3—H3B | 109.5 |
| O8—La1—O10 | 92.8 (2) | H3A—C3—H3B | 109.5 |
| O9—La1—O10 | 88.5 (2) | N4—C3—H3C | 109.5 |
| O8—La1—O7 | 94.8 (2) | H3A—C3—H3C | 109.5 |
| O9—La1—O7 | 92.2 (2) | H3B—C3—H3C | 109.5 |
| O10—La1—O7 | 158.6 (2) | N4—C3'—H3'A | 109.5 |
| O8—La1—O2 | 79.6 (2) | N4—C3'—H3'B | 109.5 |
| O9—La1—O2 | 81.0 (3) | H3'A—C3'—H3'B | 109.5 |
| O10—La1—O2 | 126.6 (2) | N4—C3'—H3'C | 109.5 |
| O7—La1—O2 | 74.6 (2) | H3'A—C3'—H3'C | 109.5 |
| O8—La1—O1 | 76.8 (2) | H3'B—C3'—H3'C | 109.5 |
| O9—La1—O1 | 80.9 (2) | N4—C4—H4A | 109.5 |
| O10—La1—O1 | 77.6 (3) | N4—C4—H4B | 109.5 |
| O7—La1—O1 | 123.6 (3) | H4A—C4—H4B | 109.5 |
| O2—La1—O1 | 49.0 (3) | N4—C4—H4C | 109.5 |
| O8—La1—O5 | 76.4 (2) | H4A—C4—H4C | 109.5 |
| O9—La1—O5 | 126.5 (2) | H4B—C4—H4C | 109.5 |
| O10—La1—O5 | 80.1 (2) | N4—C4'—H4'A | 109.5 |
| O7—La1—O5 | 82.4 (2) | N4—C4'—H4'B | 109.5 |
| O2—La1—O5 | 145.0 (3) | H4'A—C4'—H4'B | 109.5 |
| O1—La1—O5 | 143.9 (3) | N4—C4'—H4'C | 109.5 |
| O8—La1—O4 | 125.0 (2) | H4'A—C4'—H4'C | 109.5 |
| O9—La1—O4 | 78.0 (2) | H4'B—C4'—H4'C | 109.5 |
| O10—La1—O4 | 78.5 (2) | N5—C5—H5A | 109.5 |
| O7—La1—O4 | 80.7 (2) | N5—C5—H5B | 109.5 |
| O2—La1—O4 | 146.7 (3) | H5A—C5—H5B | 109.5 |
| O1—La1—O4 | 148.4 (3) | N5—C5—H5C | 109.5 |
| O5—La1—O4 | 48.6 (2) | H5A—C5—H5C | 109.5 |
| O8—La1—N1 | 75.8 (2) | H5B—C5—H5C | 109.5 |
| O9—La1—N1 | 81.2 (2) | N5—C5'—H5'A | 109.5 |
| O10—La1—N1 | 102.2 (3) | N5—C5'—H5'B | 109.5 |
| O7—La1—N1 | 99.1 (3) | H5'A—C5'—H5'B | 109.5 |
| O2—La1—N1 | 24.5 (3) | N5—C5'—H5'C | 109.5 |
| O1—La1—N1 | 24.5 (3) | H5'A—C5'—H5'C | 109.5 |
| O5—La1—N1 | 152.2 (2) | H5'B—C5'—H5'C | 109.5 |
| O4—La1—N1 | 159.2 (3) | N5—C6—H6A | 109.5 |
| O8—La1—N2 | 100.7 (3) | N5—C6—H6B | 109.5 |
| O9—La1—N2 | 102.1 (3) | H6A—C6—H6B | 109.5 |
| O10—La1—N2 | 76.0 (2) | N5—C6—H6C | 109.5 |
| O7—La1—N2 | 82.9 (2) | H6A—C6—H6C | 109.5 |
| O2—La1—N2 | 157.4 (2) | H6B—C6—H6C | 109.5 |
| O1—La1—N2 | 153.4 (3) | N5—C6'—H6'A | 109.5 |
| O5—La1—N2 | 24.5 (2) | N5—C6'—H6'B | 109.5 |
| O4—La1—N2 | 24.3 (2) | H6'A—C6'—H6'B | 109.5 |
| N1—La1—N2 | 176.1 (3) | N5—C6'—H6'C | 109.5 |
| S4ii—Ag1—S3ii | 92.94 (8) | H6'A—C6'—H6'C | 109.5 |
| S4ii—Ag1—S2 | 118.81 (10) | H6'B—C6'—H6'C | 109.5 |
| S3ii—Ag1—S2 | 121.20 (10) | N6—C7—H7A | 109.5 |
| S4ii—Ag1—S1 | 119.66 (9) | N6—C7—H7B | 109.5 |
| S3ii—Ag1—S1 | 120.22 (10) | H7A—C7—H7B | 109.5 |
| S2—Ag1—S1 | 86.98 (8) | N6—C7—H7C | 109.5 |
| S4ii—Ag1—W1ii | 46.65 (6) | H7A—C7—H7C | 109.5 |
| S3ii—Ag1—W1ii | 46.29 (5) | H7B—C7—H7C | 109.5 |
| S2—Ag1—W1ii | 136.59 (7) | N6—C8—H8A | 109.5 |
| S1—Ag1—W1ii | 136.41 (6) | N6—C8—H8B | 109.5 |
| S4ii—Ag1—W1 | 147.41 (7) | H8A—C8—H8B | 109.5 |
| S3ii—Ag1—W1 | 119.66 (6) | N6—C8—H8C | 109.5 |
| S2—Ag1—W1 | 45.64 (6) | H8A—C8—H8C | 109.5 |
| S1—Ag1—W1 | 45.43 (5) | H8B—C8—H8C | 109.5 |
| W1ii—Ag1—W1 | 165.95 (3) | N7—C9—H9A | 109.5 |
| W1—S1—Ag1 | 76.03 (8) | N7—C9—H9B | 109.5 |
| W1—S2—Ag1 | 76.06 (8) | H9A—C9—H9B | 109.5 |
| W1—S3—Ag1i | 76.23 (7) | N7—C9—H9C | 109.5 |
| W1—S4—Ag1i | 77.76 (7) | H9A—C9—H9C | 109.5 |
| O7—P1—N4 | 111.3 (5) | H9B—C9—H9C | 109.5 |
| O7—P1—N5 | 110.2 (5) | N7—C10—H10A | 109.5 |
| N4—P1—N5 | 113.4 (6) | N7—C10—H10B | 109.5 |
| O7—P1—N3 | 112.9 (6) | H10A—C10—H10B | 109.5 |
| N4—P1—N3 | 102.4 (7) | N7—C10—H10C | 109.5 |
| N5—P1—N3 | 106.4 (8) | H10A—C10—H10C | 109.5 |
| O8—P2—N6 | 111.6 (4) | H10B—C10—H10C | 109.5 |
| O8—P2—N8 | 108.7 (4) | N8—C11—H11A | 109.5 |
| N6—P2—N8 | 108.9 (4) | N8—C11—H11B | 109.5 |
| O8—P2—N7 | 111.4 (4) | H11A—C11—H11B | 109.5 |
| N6—P2—N7 | 107.1 (5) | N8—C11—H11C | 109.5 |
| N8—P2—N7 | 109.0 (5) | H11A—C11—H11C | 109.5 |
| O9—P3—N10 | 112.5 (8) | H11B—C11—H11C | 109.5 |
| O9—P3—N10' | 109.7 (7) | N8—C12—H12A | 109.5 |
| N10—P3—N10' | 31.3 (9) | N8—C12—H12B | 109.5 |
| O9—P3—N9 | 116.7 (5) | H12A—C12—H12B | 109.5 |
| N10—P3—N9 | 119.5 (9) | N8—C12—H12C | 109.5 |
| N10'—P3—N9 | 97.9 (9) | H12A—C12—H12C | 109.5 |
| O9—P3—N11 | 109.9 (8) | H12B—C12—H12C | 109.5 |
| N10—P3—N11 | 110.2 (11) | N9—C13—H13A | 109.5 |
| N10'—P3—N11 | 134.4 (11) | N9—C13—H13B | 109.5 |
| N9—P3—N11 | 83.9 (10) | H13A—C13—H13B | 109.5 |
| O9—P3—N11' | 109.7 (8) | N9—C13—H13C | 109.5 |
| N10—P3—N11' | 90.4 (11) | H13A—C13—H13C | 109.5 |
| N10'—P3—N11' | 119.1 (10) | H13B—C13—H13C | 109.5 |
| N9—P3—N11' | 103.6 (10) | N9—C13'—H13D | 109.5 |
| N11—P3—N11' | 22.8 (10) | N9—C13'—H13E | 109.5 |
| O10—P4—N13 | 110.3 (8) | H13D—C13'—H13E | 109.5 |
| O10—P4—N12' | 121.0 (9) | N9—C13'—H13F | 109.5 |
| N13—P4—N12' | 125.9 (11) | H13D—C13'—H13F | 109.5 |
| O10—P4—N14' | 113.7 (9) | H13E—C13'—H13F | 109.5 |
| N13—P4—N14' | 60.4 (10) | N9—C14—H14A | 109.5 |
| N12'—P4—N14' | 108.7 (12) | N9—C14—H14B | 109.5 |
| O10—P4—N14 | 105.9 (9) | H14A—C14—H14B | 109.5 |
| N13—P4—N14 | 111.7 (11) | N9—C14—H14C | 109.5 |
| N12'—P4—N14 | 70.8 (12) | H14A—C14—H14C | 109.5 |
| N14'—P4—N14 | 52.4 (10) | H14B—C14—H14C | 109.5 |
| O10—P4—N12 | 107.3 (8) | N9—C14'—H14D | 109.5 |
| N13—P4—N12 | 115.3 (11) | N9—C14'—H14E | 109.5 |
| N12'—P4—N12 | 35.3 (10) | H14D—C14'—H14E | 109.5 |
| N14'—P4—N12 | 137.4 (11) | N9—C14'—H14F | 109.5 |
| N14—P4—N12 | 105.9 (11) | H14D—C14'—H14F | 109.5 |
| O10—P4—N13' | 109.3 (7) | H14E—C14'—H14F | 109.5 |
| N13—P4—N13' | 44.9 (8) | N10—C15—H15A | 109.5 |
| N12'—P4—N13' | 99.4 (11) | N10—C15—H15B | 109.5 |
| N14'—P4—N13' | 102.2 (10) | H15A—C15—H15B | 109.5 |
| N14—P4—N13' | 143.2 (10) | N10—C15—H15C | 109.5 |
| N12—P4—N13' | 73.8 (10) | H15A—C15—H15C | 109.5 |
| N1—O1—La1 | 95.5 (6) | H15B—C15—H15C | 109.5 |
| N1—O2—La1 | 95.9 (6) | N10'—C15'—H15D | 109.5 |
| N2—O4—La1 | 97.0 (5) | N10'—C15'—H15E | 109.5 |
| N2—O5—La1 | 96.9 (6) | H15D—C15'—H15E | 109.5 |
| P1—O7—La1 | 171.3 (4) | N10'—C15'—H15F | 109.5 |
| P2—O8—La1 | 167.2 (4) | H15D—C15'—H15F | 109.5 |
| P3—O9—La1 | 162.0 (4) | H15E—C15'—H15F | 109.5 |
| P4—O10—La1 | 169.1 (4) | N10—C16—H16A | 109.5 |
| O3—N1—O1 | 121.2 (11) | N10—C16—H16B | 109.5 |
| O3—N1—O2 | 119.5 (11) | H16A—C16—H16B | 109.5 |
| O1—N1—O2 | 119.3 (8) | N10—C16—H16C | 109.5 |
| O3—N1—La1 | 173.8 (7) | H16A—C16—H16C | 109.5 |
| O1—N1—La1 | 60.0 (5) | H16B—C16—H16C | 109.5 |
| O2—N1—La1 | 59.5 (5) | N10'—C16'—H16D | 109.5 |
| O6—N2—O4 | 123.2 (9) | N10'—C16'—H16E | 109.5 |
| O6—N2—O5 | 120.2 (10) | H16D—C16'—H16E | 109.5 |
| O4—N2—O5 | 116.6 (8) | N10'—C16'—H16F | 109.5 |
| O6—N2—La1 | 171.5 (7) | H16D—C16'—H16F | 109.5 |
| O4—N2—La1 | 58.7 (4) | H16E—C16'—H16F | 109.5 |
| O5—N2—La1 | 58.7 (5) | N11—C17—H17A | 109.5 |
| C1'—N3—C2 | 25 (3) | N11—C17—H17B | 109.5 |
| C1'—N3—C1 | 90 (3) | H17A—C17—H17B | 109.5 |
| C2—N3—C1 | 109 (3) | N11—C17—H17C | 109.5 |
| C1'—N3—C2' | 95 (3) | H17A—C17—H17C | 109.5 |
| C2—N3—C2' | 75 (3) | H17B—C17—H17C | 109.5 |
| C1—N3—C2' | 104 (3) | N11'—C17'—H17D | 109.5 |
| C1'—N3—P1 | 130 (3) | N11'—C17'—H17E | 109.5 |
| C2—N3—P1 | 122 (3) | H17D—C17'—H17E | 109.5 |
| C1—N3—P1 | 125 (2) | N11'—C17'—H17F | 109.5 |
| C2'—N3—P1 | 106 (2) | H17D—C17'—H17F | 109.5 |
| C3—N4—C3' | 29.8 (17) | H17E—C17'—H17F | 109.5 |
| C3—N4—C4 | 116 (2) | N11—C18—H18A | 109.5 |
| C3'—N4—C4 | 126 (2) | N11—C18—H18B | 109.5 |
| C3—N4—C4' | 101 (2) | H18A—C18—H18B | 109.5 |
| C3'—N4—C4' | 101 (2) | N11—C18—H18C | 109.5 |
| C4—N4—C4' | 27 (2) | H18A—C18—H18C | 109.5 |
| C3—N4—P1 | 128.9 (15) | H18B—C18—H18C | 109.5 |
| C3'—N4—P1 | 118.6 (15) | N11'—C18'—H18D | 109.5 |
| C4—N4—P1 | 112.8 (19) | N11'—C18'—H18E | 109.5 |
| C4'—N4—P1 | 129.5 (19) | H18D—C18'—H18E | 109.5 |
| C6'—N5—C6 | 16 (3) | N11'—C18'—H18F | 109.5 |
| C6'—N5—C5 | 101 (3) | H18D—C18'—H18F | 109.5 |
| C6—N5—C5 | 102 (3) | H18E—C18'—H18F | 109.5 |
| C6'—N5—C5' | 129 (3) | N12—C19—H19A | 109.5 |
| C6—N5—C5' | 121 (3) | N12—C19—H19B | 109.5 |
| C5—N5—C5' | 37.1 (17) | H19A—C19—H19B | 109.5 |
| C6'—N5—P1 | 119 (2) | N12—C19—H19C | 109.5 |
| C6—N5—P1 | 126 (2) | H19A—C19—H19C | 109.5 |
| C5—N5—P1 | 129.0 (17) | H19B—C19—H19C | 109.5 |
| C5'—N5—P1 | 111.9 (18) | N12'—C19'—H19D | 109.5 |
| C7—N6—C8 | 117.2 (11) | N12'—C19'—H19E | 109.5 |
| C7—N6—P2 | 119.2 (9) | H19D—C19'—H19E | 109.5 |
| C8—N6—P2 | 123.2 (10) | N12'—C19'—H19F | 109.5 |
| C10—N7—C9 | 113.8 (10) | H19D—C19'—H19F | 109.5 |
| C10—N7—P2 | 120.4 (8) | H19E—C19'—H19F | 109.5 |
| C9—N7—P2 | 125.7 (8) | N12—C20—H20A | 109.5 |
| C11—N8—C12 | 115.6 (9) | N12—C20—H20B | 109.5 |
| C11—N8—P2 | 121.1 (7) | H20A—C20—H20B | 109.5 |
| C12—N8—P2 | 121.4 (8) | N12—C20—H20C | 109.5 |
| C13'—N9—C14 | 80 (3) | H20A—C20—H20C | 109.5 |
| C13'—N9—C14' | 113 (3) | H20B—C20—H20C | 109.5 |
| C14—N9—C14' | 38 (2) | N12'—C20'—H20D | 109.5 |
| C13'—N9—P3 | 138 (2) | N12'—C20'—H20E | 109.5 |
| C14—N9—P3 | 126 (2) | H20D—C20'—H20E | 109.5 |
| C14'—N9—P3 | 103.9 (19) | N12'—C20'—H20F | 109.5 |
| C13'—N9—C13 | 38.1 (18) | H20D—C20'—H20F | 109.5 |
| C14—N9—C13 | 118 (3) | H20E—C20'—H20F | 109.5 |
| C14'—N9—C13 | 147 (2) | N13—C21—H21A | 109.5 |
| P3—N9—C13 | 109.1 (18) | N13—C21—H21B | 109.5 |
| C16—N10—C15 | 115 (2) | H21A—C21—H21B | 109.5 |
| C16—N10—P3 | 122.2 (18) | N13—C21—H21C | 109.5 |
| C15—N10—P3 | 122.8 (18) | H21A—C21—H21C | 109.5 |
| C15'—N10'—C16' | 117 (2) | H21B—C21—H21C | 109.5 |
| C15'—N10'—P3 | 124.0 (18) | N13'—C21'—H21D | 109.5 |
| C16'—N10'—P3 | 117.4 (17) | N13'—C21'—H21E | 109.5 |
| C17—N11—C18 | 111 (3) | H21D—C21'—H21E | 109.5 |
| C17—N11—P3 | 127 (2) | N13'—C21'—H21F | 109.5 |
| C18—N11—P3 | 118 (2) | H21D—C21'—H21F | 109.5 |
| C18'—N11'—C17' | 116 (3) | H21E—C21'—H21F | 109.5 |
| C18'—N11'—P3 | 119 (2) | N13—C22—H22A | 109.5 |
| C17'—N11'—P3 | 122 (2) | N13—C22—H22B | 109.5 |
| C19—N12—C20 | 108 (3) | H22A—C22—H22B | 109.5 |
| C19—N12—P4 | 131 (2) | N13—C22—H22C | 109.5 |
| C20—N12—P4 | 120 (2) | H22A—C22—H22C | 109.5 |
| C19'—N12'—C20' | 103 (3) | H22B—C22—H22C | 109.5 |
| C19'—N12'—P4 | 126 (2) | N13'—C22'—H22D | 109.5 |
| C20'—N12'—P4 | 121 (3) | N13'—C22'—H22E | 109.5 |
| C19'—N12'—N14 | 70 (2) | H22D—C22'—H22E | 109.5 |
| C20'—N12'—N14 | 133 (3) | N13'—C22'—H22F | 109.5 |
| P4—N12'—N14 | 56.8 (10) | H22D—C22'—H22F | 109.5 |
| C21—N13—C22 | 114 (2) | H22E—C22'—H22F | 109.5 |
| C21—N13—P4 | 121.2 (18) | N14—C23—H23A | 109.5 |
| C22—N13—P4 | 122 (2) | N14—C23—H23B | 109.5 |
| C21'—N13'—C22' | 112 (2) | H23A—C23—H23B | 109.5 |
| C21'—N13'—P4 | 121.8 (17) | N14—C23—H23C | 109.5 |
| C22'—N13'—P4 | 126 (2) | H23A—C23—H23C | 109.5 |
| C23—N14—C24 | 100 (3) | H23B—C23—H23C | 109.5 |
| C23—N14—P4 | 137 (2) | N14'—C23'—H23D | 109.5 |
| C24—N14—P4 | 121 (2) | N14'—C23'—H23E | 109.5 |
| C23—N14—N12' | 90 (2) | H23D—C23'—H23E | 109.5 |
| C24—N14—N12' | 169 (3) | N14'—C23'—H23G | 109.5 |
| P4—N14—N12' | 52.3 (10) | H23D—C23'—H23G | 109.5 |
| C24'—N14'—C23' | 116 (3) | H23E—C23'—H23G | 109.5 |
| C24'—N14'—P4 | 115 (2) | N14—C24—H24A | 109.5 |
| C23'—N14'—P4 | 127 (2) | N14—C24—H24D | 109.5 |
| N3—C1—H1A | 109.5 | H24A—C24—H24D | 109.5 |
| N3—C1—H1B | 109.5 | N14—C24—H24B | 109.5 |
| H1A—C1—H1B | 109.5 | H24A—C24—H24B | 109.5 |
| N3—C1—H1C | 109.5 | H24D—C24—H24B | 109.5 |
| H1A—C1—H1C | 109.5 | N14'—C24'—H24C | 109.5 |
| H1B—C1—H1C | 109.5 | N14'—C24'—H24G | 109.5 |
| N3—C1'—H1'A | 109.5 | H24C—C24'—H24G | 109.5 |
| N3—C1'—H1'B | 109.5 | N14'—C24'—H24E | 109.5 |
| H1'A—C1'—H1'B | 109.5 | H24C—C24'—H24E | 109.5 |
| N3—C1'—H1'C | 109.5 | H24G—C24'—H24E | 109.5 |