| Literature DB >> 21201866 |
Guodong Tang, Jinfang Zhang, Chi Zhang.
Abstract
In the title compound, {[Nd(NO(3))(2)(C(6)H(18)N(3)OP)(4)][AgWS(4)]}(n), the central Nd atom of the monovalent cation is coordinated by eight O atoms from two nitrate and four hexa-methyl-phospho-ramide ligands. The monovalent anion, {[WS(4)Ag](-)}(n), forms a polymeric chain in a distorted linear configuration with W-Ag-W and Ag-W-Ag angles of 163.81 (3) and 154.786 (12)°, respectively. Thirteen C and three N atoms are disordered equally over two positions. One C atom is disordered over two positions with site occupancy factors of 0.6 and 0.4.Entities:
Year: 2008 PMID: 21201866 PMCID: PMC2960880 DOI: 10.1107/S1600536808001256
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Nd(NO3)2(C6H18N3OP)4][AgWS4] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 19261 reflections |
| θ = 3.0–25.4º | |
| µ = 3.76 mm−1 | |
| β = 90.689 (3)º | Block, orange–red |
| 0.2 × 0.15 × 0.1 mm | |
| Rigaku Mercury diffractometer | 9877 independent reflections |
| Radiation source: fine-focus sealed tube | 9086 reflections with |
| Monochromator: graphite | |
| Detector resolution: 14.6306 pixels mm-1 | θmax = 25.4º |
| θmin = 3.0º | |
| ω scans | |
| Absorption correction: multi-scan(SADABS; Sheldrick, 1996) | |
| 46733 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 = 0.002 | |
| 9877 reflections | Δρmax = 1.42 e Å−3 |
| 506 parameters | Δρmin = −1.36 e Å−3 |
| 28 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.00025 (5) |
| Experimental. Analysis: calculated for C24H72AgN14NdO10P4S4W: C 20.52, H 5.16, N 13.96%; found: C 20.50, H 5.14, N 14.01%. IR: ν, cm-1, 478.5 m, 446.8 s (W-µ2-S). |
| 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 | 0.713803 (18) | 0.271347 (9) | −0.02311 (2) | 0.03257 (10) | |
| Ag1 | 0.71456 (5) | 0.23648 (2) | 0.21805 (5) | 0.05526 (19) | |
| S1 | 0.71465 (15) | 0.19967 (7) | 0.02245 (17) | 0.0526 (5) | |
| S4 | 0.59999 (13) | 0.28497 (8) | −0.12827 (18) | 0.0544 (5) | |
| S3 | 0.82772 (13) | 0.28620 (9) | −0.12453 (18) | 0.0562 (6) | |
| S2 | 0.71231 (14) | 0.31554 (6) | 0.13071 (16) | 0.0470 (5) | |
| Nd1 | 0.23703 (2) | 0.083214 (11) | 0.83521 (3) | 0.03310 (11) | |
| P1 | 0.19278 (16) | −0.02955 (7) | 0.69224 (19) | 0.0531 (6) | |
| P2 | 0.46340 (12) | 0.09454 (7) | 0.7383 (2) | 0.0509 (5) | |
| P3 | 0.01781 (11) | 0.13540 (7) | 0.82852 (17) | 0.0392 (4) | |
| P4 | 0.29591 (17) | 0.14957 (8) | 1.1063 (2) | 0.0604 (6) | |
| O1 | 0.2074 (3) | 0.01663 (16) | 0.7322 (5) | 0.0508 (13) | |
| O4 | 0.2729 (3) | 0.12885 (17) | 0.9929 (5) | 0.0504 (13) | |
| O2 | 0.3799 (3) | 0.08064 (17) | 0.7868 (5) | 0.0521 (14) | |
| O3 | 0.0979 (3) | 0.10903 (16) | 0.8307 (5) | 0.0430 (12) | |
| O5 | 0.1659 (3) | 0.04041 (18) | 1.0014 (5) | 0.0517 (14) | |
| O6 | 0.2985 (3) | 0.02619 (19) | 0.9801 (6) | 0.0581 (15) | |
| O7 | 0.2315 (5) | 0.0018 (2) | 1.1332 (7) | 0.087 (2) | |
| O8 | 0.2510 (4) | 0.15975 (17) | 0.7396 (5) | 0.0538 (14) | |
| O9 | 0.2232 (4) | 0.10556 (19) | 0.6219 (5) | 0.0566 (14) | |
| O10 | 0.2227 (6) | 0.1734 (3) | 0.5559 (7) | 0.108 (3) | |
| N1 | 0.2137 (6) | −0.0343 (3) | 0.5527 (6) | 0.074 (2) | |
| N2 | 0.2566 (7) | −0.0668 (3) | 0.7514 (9) | 0.090 (3) | |
| N3 | 0.1001 (6) | −0.0461 (3) | 0.7286 (9) | 0.101 (4) | |
| N4 | 0.5361 (4) | 0.0702 (3) | 0.8074 (9) | 0.102 (4) | |
| N5 | 0.4625 (5) | 0.0856 (4) | 0.5961 (8) | 0.090 (3) | |
| N6 | 0.4873 (5) | 0.1474 (3) | 0.7370 (8) | 0.083 (3) | |
| N7 | −0.0604 (4) | 0.1016 (2) | 0.8554 (6) | 0.0487 (16) | |
| N8 | 0.0200 (4) | 0.1751 (2) | 0.9266 (7) | 0.0588 (18) | |
| N9 | 0.0021 (4) | 0.1589 (3) | 0.7038 (6) | 0.0602 (19) | |
| N13 | 0.2327 (5) | 0.0221 (2) | 1.0398 (7) | 0.0567 (19) | |
| N14 | 0.2324 (5) | 0.1468 (3) | 0.6370 (7) | 0.0596 (19) | |
| C2 | 0.2211 (10) | −0.0793 (4) | 0.4976 (12) | 0.126 (6) | |
| H2A | 0.1672 | −0.0873 | 0.4602 | 0.189* | |
| H2B | 0.2355 | −0.1015 | 0.5577 | 0.189* | |
| H2C | 0.2655 | −0.0786 | 0.4387 | 0.189* | |
| C4 | 0.2563 (13) | −0.0823 (6) | 0.8638 (15) | 0.160 (7) | |
| H4A | 0.3027 | −0.1037 | 0.8750 | 0.240* | |
| H4B | 0.2024 | −0.0972 | 0.8790 | 0.240* | |
| H4C | 0.2637 | −0.0572 | 0.9181 | 0.240* | |
| C6 | 0.0334 (7) | −0.0152 (4) | 0.7584 (12) | 0.099 (4) | |
| H6A | 0.0540 | 0.0156 | 0.7507 | 0.149* | |
| H6B | 0.0161 | −0.0205 | 0.8393 | 0.149* | |
| H6C | −0.0150 | −0.0198 | 0.7056 | 0.149* | |
| C7 | 0.5338 (10) | 0.0962 (7) | 0.5243 (13) | 0.171 (9) | |
| H7A | 0.5730 | 0.0708 | 0.5238 | 0.256* | |
| H7B | 0.5628 | 0.1226 | 0.5560 | 0.256* | |
| H7C | 0.5143 | 0.1024 | 0.4443 | 0.256* | |
| C8 | 0.4124 (8) | 0.0485 (5) | 0.5485 (12) | 0.114 (5) | |
| H8A | 0.4186 | 0.0474 | 0.4634 | 0.171* | |
| H8B | 0.3528 | 0.0530 | 0.5676 | 0.171* | |
| H8C | 0.4323 | 0.0203 | 0.5828 | 0.171* | |
| C13 | −0.0526 (6) | 0.0683 (3) | 0.9472 (9) | 0.072 (3) | |
| H13A | −0.1048 | 0.0507 | 0.9508 | 0.109* | |
| H13B | −0.0426 | 0.0832 | 1.0224 | 0.109* | |
| H13C | −0.0050 | 0.0484 | 0.9303 | 0.109* | |
| C14 | −0.1476 (5) | 0.1113 (4) | 0.8189 (9) | 0.070 (3) | |
| H14A | −0.1846 | 0.0868 | 0.8433 | 0.105* | |
| H14B | −0.1504 | 0.1145 | 0.7337 | 0.105* | |
| H14C | −0.1661 | 0.1393 | 0.8555 | 0.105* | |
| C15 | −0.0477 (6) | 0.1853 (4) | 1.0071 (9) | 0.077 (3) | |
| H15A | −0.0237 | 0.1921 | 1.0844 | 0.116* | |
| H15B | −0.0855 | 0.1594 | 1.0129 | 0.116* | |
| H15C | −0.0797 | 0.2112 | 0.9782 | 0.116* | |
| C16 | 0.0874 (7) | 0.2085 (3) | 0.9244 (11) | 0.084 (3) | |
| H16A | 0.0649 | 0.2368 | 0.8941 | 0.125* | |
| H16B | 0.1329 | 0.1980 | 0.8738 | 0.125* | |
| H16C | 0.1097 | 0.2130 | 1.0039 | 0.125* | |
| C18 | 0.0148 (7) | 0.1332 (5) | 0.5970 (9) | 0.097 (4) | |
| H18A | 0.0429 | 0.1049 | 0.6163 | 0.146* | |
| H18B | 0.0502 | 0.1504 | 0.5434 | 0.146* | |
| H18C | −0.0400 | 0.1271 | 0.5595 | 0.146* | |
| N10 | 0.2744 (10) | 0.2005 (5) | 1.1022 (12) | 0.062 (3)* | 0.50 |
| N10' | 0.3460 (9) | 0.1984 (5) | 1.0899 (12) | 0.062 (3)* | 0.50 |
| N11 | 0.4021 (11) | 0.1396 (6) | 1.1244 (16) | 0.076 (3)* | 0.50 |
| N11' | 0.3634 (11) | 0.1297 (6) | 1.1919 (15) | 0.076 (3)* | 0.50 |
| N12 | 0.2128 (11) | 0.1727 (6) | 1.1823 (16) | 0.083 (4)* | 0.50 |
| N12' | 0.2418 (11) | 0.1248 (6) | 1.2046 (16) | 0.083 (4)* | 0.50 |
| C1 | 0.1813 (16) | 0.0006 (8) | 0.477 (2) | 0.085 (5)* | 0.50 |
| H1A | 0.1972 | −0.0057 | 0.3962 | 0.128* | 0.50 |
| H1B | 0.2051 | 0.0294 | 0.5014 | 0.128* | 0.50 |
| H1C | 0.1196 | 0.0017 | 0.4825 | 0.128* | 0.50 |
| C1' | 0.2149 (16) | 0.0014 (8) | 0.471 (2) | 0.085 (5)* | 0.50 |
| H1'A | 0.2288 | −0.0102 | 0.3939 | 0.128* | 0.50 |
| H1'B | 0.2575 | 0.0234 | 0.4959 | 0.128* | 0.50 |
| H1'C | 0.1591 | 0.0157 | 0.4683 | 0.128* | 0.50 |
| C3 | 0.3374 (16) | −0.0770 (15) | 0.692 (3) | 0.152 (10)* | 0.50 |
| H3A | 0.3352 | −0.0658 | 0.6120 | 0.227* | 0.50 |
| H3B | 0.3463 | −0.1095 | 0.6915 | 0.227* | 0.50 |
| H3C | 0.3842 | −0.0626 | 0.7350 | 0.227* | 0.50 |
| C3' | 0.3492 (13) | −0.0640 (15) | 0.743 (4) | 0.152 (10)* | 0.50 |
| H3'1 | 0.3718 | −0.0465 | 0.8087 | 0.227* | 0.50 |
| H3'2 | 0.3641 | −0.0494 | 0.6692 | 0.227* | 0.50 |
| H3'3 | 0.3732 | −0.0942 | 0.7449 | 0.227* | 0.50 |
| C5 | 0.0938 (15) | −0.0971 (6) | 0.727 (2) | 0.085 (5)* | 0.50 |
| H5A | 0.0536 | −0.1069 | 0.7868 | 0.128* | 0.50 |
| H5B | 0.1495 | −0.1101 | 0.7446 | 0.128* | 0.50 |
| H5C | 0.0742 | −0.1072 | 0.6501 | 0.128* | 0.50 |
| C5' | 0.0559 (14) | −0.0855 (7) | 0.690 (2) | 0.085 (5)* | 0.50 |
| H5'A | 0.0069 | −0.0767 | 0.6420 | 0.128* | 0.50 |
| H5'B | 0.0369 | −0.1025 | 0.7580 | 0.128* | 0.50 |
| H5'C | 0.0939 | −0.1041 | 0.6433 | 0.128* | 0.50 |
| C9 | 0.6243 (10) | 0.0721 (8) | 0.771 (2) | 0.081 (5)* | 0.50 |
| H9A | 0.6548 | 0.0459 | 0.8009 | 0.121* | 0.50 |
| H9B | 0.6507 | 0.0994 | 0.8011 | 0.121* | 0.50 |
| H9C | 0.6266 | 0.0722 | 0.6849 | 0.121* | 0.50 |
| C9' | 0.6235 (11) | 0.0906 (8) | 0.819 (2) | 0.081 (5)* | 0.50 |
| H9'A | 0.6517 | 0.0786 | 0.8895 | 0.121* | 0.50 |
| H9'B | 0.6185 | 0.1232 | 0.8264 | 0.121* | 0.50 |
| H9'C | 0.6567 | 0.0832 | 0.7503 | 0.121* | 0.50 |
| C10 | 0.5204 (14) | 0.0235 (5) | 0.8409 (18) | 0.067 (4)* | 0.50 |
| H10D | 0.5711 | 0.0056 | 0.8270 | 0.101* | 0.50 |
| H10E | 0.4732 | 0.0116 | 0.7941 | 0.101* | 0.50 |
| H10F | 0.5062 | 0.0222 | 0.9240 | 0.101* | 0.50 |
| C10' | 0.5260 (14) | 0.0337 (6) | 0.8911 (16) | 0.067 (4)* | 0.50 |
| H10G | 0.5812 | 0.0259 | 0.9252 | 0.101* | 0.50 |
| H10H | 0.5021 | 0.0075 | 0.8510 | 0.101* | 0.50 |
| H10I | 0.4879 | 0.0432 | 0.9533 | 0.101* | 0.50 |
| C11 | 0.4938 (17) | 0.1755 (8) | 0.8378 (19) | 0.097 (4)* | 0.50 |
| H11A | 0.5079 | 0.2060 | 0.8135 | 0.145* | 0.50 |
| H11B | 0.5382 | 0.1640 | 0.8903 | 0.145* | 0.50 |
| H11C | 0.4397 | 0.1756 | 0.8787 | 0.145* | 0.50 |
| C11' | 0.5275 (16) | 0.1607 (9) | 0.8511 (18) | 0.097 (4)* | 0.50 |
| H11D | 0.5413 | 0.1927 | 0.8493 | 0.145* | 0.50 |
| H11E | 0.5794 | 0.1434 | 0.8637 | 0.145* | 0.50 |
| H11F | 0.4882 | 0.1549 | 0.9149 | 0.145* | 0.50 |
| C12 | 0.4574 (17) | 0.1859 (7) | 0.677 (2) | 0.097 (4)* | 0.50 |
| H12A | 0.4896 | 0.2121 | 0.7036 | 0.145* | 0.50 |
| H12B | 0.3974 | 0.1903 | 0.6943 | 0.145* | 0.50 |
| H12C | 0.4645 | 0.1819 | 0.5930 | 0.145* | 0.50 |
| C12' | 0.4557 (17) | 0.1707 (8) | 0.6275 (18) | 0.097 (4)* | 0.50 |
| H12D | 0.3978 | 0.1812 | 0.6394 | 0.145* | 0.50 |
| H12E | 0.4566 | 0.1497 | 0.5617 | 0.145* | 0.50 |
| H12F | 0.4924 | 0.1963 | 0.6105 | 0.145* | 0.50 |
| C17 | −0.0382 (14) | 0.2048 (6) | 0.7073 (19) | 0.070 (4)* | 0.50 |
| H17A | −0.0809 | 0.2236 | 0.6684 | 0.105* | 0.50 |
| H17B | 0.0176 | 0.2188 | 0.6995 | 0.105* | 0.50 |
| H17C | −0.0517 | 0.2019 | 0.7903 | 0.105* | 0.50 |
| C17' | −0.0328 (14) | 0.2003 (6) | 0.6628 (19) | 0.070 (4)* | 0.50 |
| H17D | −0.0137 | 0.2060 | 0.5829 | 0.105* | 0.50 |
| H17E | −0.0138 | 0.2247 | 0.7140 | 0.105* | 0.50 |
| H17F | −0.0946 | 0.1986 | 0.6634 | 0.105* | 0.50 |
| C19 | 0.2618 (17) | 0.2274 (8) | 1.207 (2) | 0.122 (7)* | 0.60 |
| H19A | 0.2956 | 0.2548 | 1.2019 | 0.184* | 0.60 |
| H19B | 0.2796 | 0.2102 | 1.2760 | 0.184* | 0.60 |
| H19C | 0.2019 | 0.2352 | 1.2132 | 0.184* | 0.60 |
| C19' | 0.4180 (19) | 0.2067 (14) | 1.171 (3) | 0.122 (7)* | 0.40 |
| H19D | 0.4455 | 0.2350 | 1.1511 | 0.184* | 0.40 |
| H19E | 0.4588 | 0.1822 | 1.1654 | 0.184* | 0.40 |
| H19F | 0.3972 | 0.2084 | 1.2517 | 0.184* | 0.40 |
| C20 | 0.2952 (13) | 0.2279 (8) | 1.0033 (18) | 0.065 (4)* | 0.50 |
| H20A | 0.2886 | 0.2595 | 1.0238 | 0.098* | 0.50 |
| H20B | 0.2574 | 0.2205 | 0.9375 | 0.098* | 0.50 |
| H20C | 0.3538 | 0.2222 | 0.9810 | 0.098* | 0.50 |
| C20' | 0.3282 (13) | 0.2282 (7) | 0.9940 (18) | 0.065 (4)* | 0.50 |
| H20D | 0.3497 | 0.2581 | 1.0126 | 0.098* | 0.50 |
| H20E | 0.2670 | 0.2297 | 0.9804 | 0.098* | 0.50 |
| H20F | 0.3557 | 0.2170 | 0.9234 | 0.098* | 0.50 |
| C21 | 0.4426 (17) | 0.0973 (7) | 1.097 (2) | 0.093 (5)* | 0.50 |
| H21A | 0.5031 | 0.0992 | 1.1159 | 0.139* | 0.50 |
| H21B | 0.4350 | 0.0907 | 1.0137 | 0.139* | 0.50 |
| H21C | 0.4170 | 0.0733 | 1.1434 | 0.139* | 0.50 |
| C21' | 0.4250 (16) | 0.0987 (8) | 1.147 (2) | 0.093 (5)* | 0.50 |
| H21D | 0.4814 | 0.1122 | 1.1518 | 0.139* | 0.50 |
| H21E | 0.4113 | 0.0918 | 1.0650 | 0.139* | 0.50 |
| H21F | 0.4241 | 0.0711 | 1.1930 | 0.139* | 0.50 |
| C22 | 0.4572 (18) | 0.1700 (10) | 1.187 (3) | 0.129 (7)* | 0.50 |
| H22A | 0.5144 | 0.1575 | 1.1902 | 0.193* | 0.50 |
| H22B | 0.4363 | 0.1745 | 1.2660 | 0.193* | 0.50 |
| H22C | 0.4584 | 0.1988 | 1.1456 | 0.193* | 0.50 |
| C22' | 0.330 (2) | 0.1107 (10) | 1.303 (2) | 0.129 (7)* | 0.50 |
| H22D | 0.3799 | 0.1096 | 1.3543 | 0.193* | 0.50 |
| H22E | 0.2792 | 0.1148 | 1.3495 | 0.193* | 0.50 |
| H22F | 0.3356 | 0.1358 | 1.2479 | 0.193* | 0.50 |
| C24' | 0.259 (2) | 0.1105 (12) | 1.320 (2) | 0.139 (9)* | 0.50 |
| H24C | 0.2054 | 0.1037 | 1.3590 | 0.208* | 0.50 |
| H24E | 0.2885 | 0.1343 | 1.3629 | 0.208* | 0.50 |
| H24F | 0.2941 | 0.0836 | 1.3184 | 0.208* | 0.50 |
| C24 | 0.214 (2) | 0.2198 (9) | 1.222 (3) | 0.139 (9)* | 0.50 |
| H24A | 0.2631 | 0.2351 | 1.1901 | 0.208* | 0.50 |
| H24B | 0.2167 | 0.2207 | 1.3078 | 0.208* | 0.50 |
| H24D | 0.1621 | 0.2349 | 1.1951 | 0.208* | 0.50 |
| C23' | 0.1513 (14) | 0.1181 (11) | 1.192 (3) | 0.111 (6)* | 0.50 |
| H23A | 0.1249 | 0.1201 | 1.2688 | 0.167* | 0.50 |
| H23D | 0.1404 | 0.0885 | 1.1580 | 0.167* | 0.50 |
| H23B | 0.1276 | 0.1412 | 1.1403 | 0.167* | 0.50 |
| C23 | 0.1510 (17) | 0.1360 (9) | 1.203 (3) | 0.111 (6)* | 0.50 |
| H23C | 0.1696 | 0.1088 | 1.1626 | 0.167* | 0.50 |
| H23G | 0.0953 | 0.1449 | 1.1726 | 0.167* | 0.50 |
| H23E | 0.1474 | 0.1300 | 1.2869 | 0.167* | 0.50 |
| W1 | 0.03803 (17) | 0.03657 (17) | 0.02301 (15) | 0.00284 (12) | −0.00287 (11) | −0.00256 (11) |
| Ag1 | 0.0819 (5) | 0.0585 (4) | 0.0254 (3) | 0.0011 (3) | −0.0014 (3) | 0.0026 (3) |
| S1 | 0.0818 (15) | 0.0361 (10) | 0.0399 (10) | 0.0074 (10) | −0.0006 (10) | −0.0064 (8) |
| S4 | 0.0440 (11) | 0.0787 (15) | 0.0403 (11) | 0.0168 (10) | −0.0075 (9) | −0.0048 (10) |
| S3 | 0.0440 (11) | 0.0866 (17) | 0.0382 (11) | −0.0086 (11) | 0.0012 (9) | −0.0017 (10) |
| S2 | 0.0686 (13) | 0.0385 (10) | 0.0340 (10) | −0.0017 (9) | −0.0014 (9) | −0.0090 (8) |
| Nd1 | 0.02623 (19) | 0.02392 (19) | 0.0491 (2) | 0.00031 (14) | −0.00170 (16) | 0.00114 (16) |
| P1 | 0.0735 (15) | 0.0375 (11) | 0.0485 (12) | −0.0155 (10) | 0.0076 (11) | −0.0094 (9) |
| P2 | 0.0305 (10) | 0.0497 (12) | 0.0726 (15) | −0.0009 (9) | 0.0057 (10) | 0.0010 (11) |
| P3 | 0.0286 (9) | 0.0433 (11) | 0.0455 (11) | 0.0068 (8) | −0.0020 (8) | 0.0080 (9) |
| P4 | 0.0746 (16) | 0.0554 (14) | 0.0508 (13) | −0.0077 (12) | −0.0208 (12) | 0.0031 (11) |
| O1 | 0.050 (3) | 0.030 (3) | 0.073 (4) | −0.002 (2) | −0.004 (3) | −0.008 (3) |
| O4 | 0.053 (3) | 0.040 (3) | 0.058 (3) | −0.002 (2) | −0.010 (3) | −0.007 (3) |
| O2 | 0.028 (3) | 0.045 (3) | 0.083 (4) | −0.002 (2) | 0.008 (3) | 0.010 (3) |
| O3 | 0.029 (2) | 0.041 (3) | 0.058 (3) | 0.007 (2) | −0.003 (2) | 0.000 (2) |
| O5 | 0.039 (3) | 0.050 (3) | 0.066 (4) | −0.003 (2) | −0.008 (3) | 0.018 (3) |
| O6 | 0.040 (3) | 0.047 (3) | 0.087 (4) | 0.000 (3) | −0.011 (3) | 0.015 (3) |
| O7 | 0.087 (5) | 0.086 (5) | 0.089 (5) | −0.012 (4) | −0.018 (4) | 0.047 (4) |
| O8 | 0.061 (4) | 0.035 (3) | 0.065 (4) | −0.009 (3) | −0.004 (3) | 0.006 (3) |
| O9 | 0.070 (4) | 0.047 (3) | 0.053 (3) | −0.006 (3) | 0.005 (3) | 0.001 (3) |
| O10 | 0.169 (9) | 0.073 (5) | 0.079 (5) | −0.023 (5) | −0.023 (5) | 0.039 (4) |
| N1 | 0.108 (7) | 0.065 (5) | 0.048 (4) | −0.025 (5) | 0.007 (4) | −0.015 (4) |
| N2 | 0.128 (8) | 0.039 (4) | 0.102 (7) | 0.008 (5) | 0.031 (6) | 0.007 (5) |
| N3 | 0.099 (7) | 0.096 (7) | 0.110 (7) | −0.063 (6) | 0.042 (6) | −0.058 (6) |
| N4 | 0.033 (4) | 0.140 (9) | 0.133 (8) | 0.010 (5) | 0.007 (4) | 0.089 (7) |
| N5 | 0.062 (5) | 0.139 (9) | 0.070 (6) | −0.022 (6) | 0.013 (4) | 0.007 (6) |
| N6 | 0.062 (5) | 0.073 (6) | 0.115 (8) | −0.007 (4) | 0.014 (5) | 0.022 (5) |
| N7 | 0.027 (3) | 0.063 (4) | 0.056 (4) | 0.001 (3) | −0.003 (3) | 0.011 (3) |
| N8 | 0.048 (4) | 0.056 (4) | 0.073 (5) | 0.007 (3) | 0.009 (4) | −0.010 (4) |
| N9 | 0.052 (4) | 0.074 (5) | 0.054 (4) | 0.004 (4) | −0.006 (3) | 0.020 (4) |
| N13 | 0.060 (5) | 0.044 (4) | 0.066 (5) | −0.010 (3) | −0.021 (4) | 0.014 (4) |
| N14 | 0.064 (5) | 0.051 (5) | 0.064 (5) | −0.008 (4) | 0.003 (4) | 0.016 (4) |
| C2 | 0.167 (14) | 0.102 (10) | 0.112 (11) | −0.047 (9) | 0.064 (10) | −0.058 (8) |
| C4 | 0.22 (2) | 0.128 (14) | 0.132 (14) | 0.072 (14) | −0.005 (14) | 0.029 (11) |
| C6 | 0.061 (7) | 0.112 (10) | 0.125 (11) | −0.011 (7) | −0.019 (7) | 0.019 (8) |
| C7 | 0.127 (13) | 0.29 (3) | 0.100 (12) | −0.083 (15) | 0.032 (10) | −0.004 (13) |
| C8 | 0.082 (8) | 0.151 (14) | 0.109 (10) | −0.016 (9) | 0.004 (7) | −0.039 (9) |
| C13 | 0.055 (5) | 0.077 (7) | 0.085 (7) | −0.001 (5) | −0.001 (5) | 0.031 (6) |
| C14 | 0.032 (4) | 0.100 (8) | 0.078 (7) | −0.004 (5) | −0.002 (4) | 0.006 (6) |
| C15 | 0.075 (7) | 0.080 (7) | 0.077 (7) | 0.015 (6) | 0.017 (5) | −0.017 (6) |
| C16 | 0.074 (7) | 0.061 (6) | 0.116 (9) | −0.002 (5) | 0.007 (6) | −0.027 (6) |
| C18 | 0.076 (7) | 0.149 (12) | 0.065 (7) | −0.005 (8) | −0.016 (6) | 0.002 (7) |
| W1—S4 | 2.192 (2) | C16—H16C | 0.9800 |
| W1—S2 | 2.1997 (18) | C18—H18A | 0.9800 |
| W1—S3 | 2.200 (2) | C18—H18B | 0.9800 |
| W1—S1 | 2.204 (2) | C18—H18C | 0.9800 |
| W1—Ag1 | 2.9477 (7) | N10—C20 | 1.436 (16) |
| W1—Ag1i | 2.9690 (7) | N10—C19 | 1.457 (17) |
| Ag1—S1 | 2.492 (2) | N10'—C20' | 1.437 (16) |
| Ag1—S2 | 2.565 (2) | N10'—C19' | 1.484 (18) |
| Ag1—S3ii | 2.613 (2) | N11—C22 | 1.441 (17) |
| Ag1—S4ii | 2.620 (2) | N11—C21 | 1.453 (17) |
| Ag1—W1ii | 2.9690 (7) | N11'—C21' | 1.444 (17) |
| S4—Ag1i | 2.620 (2) | N12—C24 | 1.481 (18) |
| S3—Ag1i | 2.613 (2) | N12—C23 | 1.490 (18) |
| Nd1—O4 | 2.325 (5) | N12'—C24' | 1.410 (18) |
| Nd1—O3 | 2.333 (4) | N12'—C23' | 1.451 (18) |
| Nd1—O2 | 2.335 (5) | C1—H1A | 0.9800 |
| Nd1—O1 | 2.356 (5) | C1—H1B | 0.9800 |
| Nd1—O9 | 2.535 (6) | C1—H1C | 0.9800 |
| Nd1—O8 | 2.545 (5) | C1'—H1'A | 0.9800 |
| Nd1—O6 | 2.560 (5) | C1'—H1'B | 0.9800 |
| Nd1—O5 | 2.562 (5) | C1'—H1'C | 0.9800 |
| Nd1—N14 | 2.957 (7) | C3—H3A | 0.9800 |
| Nd1—N13 | 2.968 (7) | C3—H3B | 0.9800 |
| P1—O1 | 1.471 (5) | C3—H3C | 0.9800 |
| P1—N3 | 1.608 (9) | C3'—H3'1 | 0.9800 |
| P1—N1 | 1.639 (8) | C3'—H3'2 | 0.9800 |
| P1—N2 | 1.642 (10) | C3'—H3'3 | 0.9800 |
| P2—O2 | 1.498 (5) | C5—H5A | 0.9800 |
| P2—N4 | 1.568 (8) | C5—H5B | 0.9800 |
| P2—N6 | 1.623 (9) | C5—H5C | 0.9800 |
| P2—N5 | 1.647 (9) | C5'—H5'A | 0.9800 |
| P3—O3 | 1.492 (5) | C5'—H5'B | 0.9800 |
| P3—N9 | 1.607 (7) | C5'—H5'C | 0.9800 |
| P3—N7 | 1.630 (7) | C9—H9A | 0.9800 |
| P3—N8 | 1.632 (7) | C9—H9B | 0.9800 |
| P4—O4 | 1.479 (6) | C9—H9C | 0.9800 |
| P4—N11' | 1.557 (17) | C9'—H9'A | 0.9800 |
| P4—N10 | 1.561 (15) | C9'—H9'B | 0.9800 |
| P4—N12' | 1.602 (18) | C9'—H9'C | 0.9800 |
| P4—N10' | 1.673 (15) | C10—H10D | 0.9800 |
| P4—N11 | 1.716 (17) | C10—H10E | 0.9800 |
| P4—N12 | 1.729 (18) | C10—H10F | 0.9800 |
| O5—N13 | 1.263 (8) | C10'—H10G | 0.9800 |
| O6—N13 | 1.258 (9) | C10'—H10H | 0.9800 |
| O7—N13 | 1.230 (9) | C10'—H10I | 0.9800 |
| O8—N14 | 1.266 (9) | C11—H11A | 0.9800 |
| O9—N14 | 1.252 (9) | C11—H11B | 0.9800 |
| O10—N14 | 1.230 (9) | C11—H11C | 0.9800 |
| N1—C1' | 1.415 (16) | C11'—H11D | 0.9800 |
| N1—C1 | 1.444 (16) | C11'—H11E | 0.9800 |
| N1—C2 | 1.489 (13) | C11'—H11F | 0.9800 |
| N2—C4 | 1.367 (17) | C12—H12A | 0.9800 |
| N2—C3' | 1.472 (18) | C12—H12B | 0.9800 |
| N2—C3 | 1.485 (18) | C12—H12C | 0.9800 |
| N3—C5' | 1.435 (16) | C12'—H12D | 0.9800 |
| N3—C6 | 1.446 (14) | C12'—H12E | 0.9800 |
| N3—C5 | 1.528 (16) | C12'—H12F | 0.9800 |
| N4—C10' | 1.461 (15) | C17—H17A | 0.9800 |
| N4—C9 | 1.464 (15) | C17—H17B | 0.9800 |
| N4—C10 | 1.468 (15) | C17—H17C | 0.9800 |
| N4—C9' | 1.515 (15) | C17'—H17D | 0.9800 |
| N5—C7 | 1.438 (15) | C17'—H17E | 0.9800 |
| N5—C8 | 1.465 (15) | C17'—H17F | 0.9800 |
| N6—C12 | 1.416 (16) | C19—H19A | 0.9800 |
| N6—C11 | 1.428 (16) | C19—H19B | 0.9800 |
| N6—C11' | 1.498 (16) | C19—H19C | 0.9800 |
| N6—C12' | 1.512 (16) | C19'—H19D | 0.9800 |
| N7—C13 | 1.450 (11) | C19'—H19E | 0.9800 |
| N7—C14 | 1.466 (10) | C19'—H19F | 0.9800 |
| N8—C15 | 1.453 (11) | C20—H20A | 0.9800 |
| N8—C16 | 1.461 (12) | C20—H20B | 0.9800 |
| N9—C17' | 1.431 (15) | C20—H20C | 0.9800 |
| N9—C18 | 1.459 (13) | C20'—H20D | 0.9800 |
| C2—H2A | 0.9800 | C20'—H20E | 0.9800 |
| C2—H2B | 0.9800 | C20'—H20F | 0.9800 |
| C2—H2C | 0.9800 | C21—H21A | 0.9800 |
| C4—H4A | 0.9800 | C21—H21B | 0.9800 |
| C4—H4B | 0.9800 | C21—H21C | 0.9800 |
| C4—H4C | 0.9800 | C21'—H21D | 0.9800 |
| C6—H6A | 0.9800 | C21'—H21E | 0.9800 |
| C6—H6B | 0.9800 | C21'—H21F | 0.9800 |
| C6—H6C | 0.9800 | C22—H22A | 0.9800 |
| C7—H7A | 0.9800 | C22—H22B | 0.9800 |
| C7—H7B | 0.9800 | C22—H22C | 0.9800 |
| C7—H7C | 0.9800 | C22'—H22D | 0.9800 |
| C8—H8A | 0.9800 | C22'—H22E | 0.9800 |
| C8—H8B | 0.9800 | C22'—H22F | 0.9800 |
| C8—H8C | 0.9800 | C24'—H24C | 0.9800 |
| C13—H13A | 0.9800 | C24'—H24E | 0.9800 |
| C13—H13B | 0.9800 | C24'—H24F | 0.9800 |
| C13—H13C | 0.9800 | C24—H24A | 0.9800 |
| C14—H14A | 0.9800 | C24—H24B | 0.9800 |
| C14—H14B | 0.9800 | C24—H24D | 0.9800 |
| C14—H14C | 0.9800 | C23'—H23A | 0.9800 |
| C15—H15A | 0.9800 | C23'—H23D | 0.9800 |
| C15—H15B | 0.9800 | C23'—H23B | 0.9800 |
| C15—H15C | 0.9800 | C23—H23C | 0.9800 |
| C16—H16A | 0.9800 | C23—H23G | 0.9800 |
| C16—H16B | 0.9800 | C23—H23E | 0.9800 |
| S4—W1—S2 | 108.09 (8) | N7—C13—H13A | 109.5 |
| S4—W1—S3 | 110.27 (8) | N7—C13—H13B | 109.5 |
| S2—W1—S3 | 108.49 (8) | H13A—C13—H13B | 109.5 |
| S4—W1—S1 | 108.23 (9) | N7—C13—H13C | 109.5 |
| S2—W1—S1 | 113.22 (7) | H13A—C13—H13C | 109.5 |
| S3—W1—S1 | 108.53 (9) | H13B—C13—H13C | 109.5 |
| S4—W1—Ag1 | 124.95 (6) | N7—C14—H14A | 109.5 |
| S2—W1—Ag1 | 57.59 (5) | N7—C14—H14B | 109.5 |
| S3—W1—Ag1 | 124.76 (6) | H14A—C14—H14B | 109.5 |
| S1—W1—Ag1 | 55.63 (5) | N7—C14—H14C | 109.5 |
| S4—W1—Ag1i | 58.73 (6) | H14A—C14—H14C | 109.5 |
| S2—W1—Ag1i | 147.62 (6) | H14B—C14—H14C | 109.5 |
| S3—W1—Ag1i | 58.49 (6) | N8—C15—H15A | 109.5 |
| S1—W1—Ag1i | 99.16 (5) | N8—C15—H15B | 109.5 |
| Ag1—W1—Ag1i | 154.786 (12) | H15A—C15—H15B | 109.5 |
| S1—Ag1—S2 | 93.26 (7) | N8—C15—H15C | 109.5 |
| S1—Ag1—S3ii | 119.74 (8) | H15A—C15—H15C | 109.5 |
| S2—Ag1—S3ii | 120.87 (8) | H15B—C15—H15C | 109.5 |
| S1—Ag1—S4ii | 120.13 (8) | N8—C16—H16A | 109.5 |
| S2—Ag1—S4ii | 118.69 (8) | N8—C16—H16B | 109.5 |
| S3ii—Ag1—S4ii | 87.06 (7) | H16A—C16—H16B | 109.5 |
| S1—Ag1—W1 | 46.87 (5) | N8—C16—H16C | 109.5 |
| S2—Ag1—W1 | 46.40 (4) | H16A—C16—H16C | 109.5 |
| S3ii—Ag1—W1 | 136.97 (5) | H16B—C16—H16C | 109.5 |
| S4ii—Ag1—W1 | 135.97 (5) | N9—C18—H18A | 109.5 |
| S1—Ag1—W1ii | 149.31 (5) | N9—C18—H18B | 109.5 |
| S2—Ag1—W1ii | 117.42 (5) | H18A—C18—H18B | 109.5 |
| S3ii—Ag1—W1ii | 45.88 (5) | N9—C18—H18C | 109.5 |
| S4ii—Ag1—W1ii | 45.65 (4) | H18A—C18—H18C | 109.5 |
| W1—Ag1—W1ii | 163.81 (3) | H18B—C18—H18C | 109.5 |
| W1—S1—Ag1 | 77.50 (6) | C20—N10—C19 | 111.7 (18) |
| W1—S4—Ag1i | 75.63 (6) | C20—N10—P4 | 121.7 (14) |
| W1—S3—Ag1i | 75.63 (6) | C19—N10—P4 | 123.0 (15) |
| W1—S2—Ag1 | 76.02 (6) | C20'—N10'—C19' | 121 (2) |
| O4—Nd1—O3 | 92.58 (18) | C20'—N10'—P4 | 122.4 (13) |
| O4—Nd1—O2 | 88.6 (2) | C19'—N10'—P4 | 115.9 (18) |
| O3—Nd1—O2 | 157.18 (18) | C22—N11—C21 | 113 (2) |
| O4—Nd1—O1 | 158.12 (19) | C22—N11—P4 | 122.4 (17) |
| O3—Nd1—O1 | 94.92 (18) | C21—N11—P4 | 123.9 (16) |
| O2—Nd1—O1 | 92.36 (19) | C21'—N11'—P4 | 118.7 (16) |
| O4—Nd1—O9 | 127.51 (19) | C24—N12—C23 | 131 (2) |
| O3—Nd1—O9 | 79.69 (19) | C24—N12—P4 | 122.0 (18) |
| O2—Nd1—O9 | 81.6 (2) | C23—N12—P4 | 106.9 (17) |
| O1—Nd1—O9 | 74.15 (19) | C24'—N12'—C23' | 103 (2) |
| O4—Nd1—O8 | 77.58 (19) | C24'—N12'—P4 | 134.4 (19) |
| O3—Nd1—O8 | 77.30 (18) | C23'—N12'—P4 | 121.9 (19) |
| O2—Nd1—O8 | 80.71 (18) | N1—C1—H1A | 109.5 |
| O1—Nd1—O8 | 124.14 (19) | N1—C1—H1B | 109.5 |
| O9—Nd1—O8 | 49.99 (18) | H1A—C1—H1B | 109.5 |
| O4—Nd1—O6 | 78.53 (19) | N1—C1—H1C | 109.5 |
| O3—Nd1—O6 | 125.83 (19) | H1A—C1—H1C | 109.5 |
| O2—Nd1—O6 | 76.72 (19) | H1B—C1—H1C | 109.5 |
| O1—Nd1—O6 | 80.42 (19) | N1—C1'—H1'A | 109.5 |
| O9—Nd1—O6 | 145.6 (2) | N1—C1'—H1'B | 109.5 |
| O8—Nd1—O6 | 147.32 (18) | H1'A—C1'—H1'B | 109.5 |
| O4—Nd1—O5 | 79.80 (19) | N1—C1'—H1'C | 109.5 |
| O3—Nd1—O5 | 76.02 (17) | H1'A—C1'—H1'C | 109.5 |
| O2—Nd1—O5 | 126.49 (18) | H1'B—C1'—H1'C | 109.5 |
| O1—Nd1—O5 | 82.12 (19) | N2—C3—H3A | 109.5 |
| O9—Nd1—O5 | 144.21 (18) | N2—C3—H3B | 109.5 |
| O8—Nd1—O5 | 143.91 (19) | H3A—C3—H3B | 109.5 |
| O6—Nd1—O5 | 49.82 (17) | N2—C3—H3C | 109.5 |
| O4—Nd1—N14 | 102.8 (2) | H3A—C3—H3C | 109.5 |
| O3—Nd1—N14 | 75.88 (19) | H3B—C3—H3C | 109.5 |
| O2—Nd1—N14 | 81.6 (2) | N2—C3'—H3'1 | 109.5 |
| O1—Nd1—N14 | 99.0 (2) | N2—C3'—H3'2 | 109.5 |
| O9—Nd1—N14 | 24.87 (19) | H3'1—C3'—H3'2 | 109.5 |
| O8—Nd1—N14 | 25.19 (19) | N2—C3'—H3'3 | 109.5 |
| O6—Nd1—N14 | 158.3 (2) | H3'1—C3'—H3'3 | 109.5 |
| O5—Nd1—N14 | 151.87 (19) | H3'2—C3'—H3'3 | 109.5 |
| O4—Nd1—N13 | 75.94 (19) | N3—C5—H5A | 109.5 |
| O3—Nd1—N13 | 100.9 (2) | N3—C5—H5B | 109.5 |
| O2—Nd1—N13 | 101.4 (2) | H5A—C5—H5B | 109.5 |
| O1—Nd1—N13 | 82.5 (2) | N3—C5—H5C | 109.5 |
| O9—Nd1—N13 | 156.55 (19) | H5A—C5—H5C | 109.5 |
| O8—Nd1—N13 | 153.4 (2) | H5B—C5—H5C | 109.5 |
| O6—Nd1—N13 | 24.93 (18) | N3—C5'—H5'A | 109.5 |
| O5—Nd1—N13 | 25.05 (18) | N3—C5'—H5'B | 109.5 |
| N14—Nd1—N13 | 176.6 (2) | H5'A—C5'—H5'B | 109.5 |
| O1—P1—N3 | 110.4 (4) | N3—C5'—H5'C | 109.5 |
| O1—P1—N1 | 110.5 (4) | H5'A—C5'—H5'C | 109.5 |
| N3—P1—N1 | 114.9 (5) | H5'B—C5'—H5'C | 109.5 |
| O1—P1—N2 | 114.4 (4) | N4—C9—H9A | 109.5 |
| N3—P1—N2 | 104.1 (6) | N4—C9—H9B | 109.5 |
| N1—P1—N2 | 102.2 (5) | H9A—C9—H9B | 109.5 |
| O2—P2—N4 | 109.3 (4) | N4—C9—H9C | 109.5 |
| O2—P2—N6 | 118.6 (4) | H9A—C9—H9C | 109.5 |
| N4—P2—N6 | 106.6 (5) | H9B—C9—H9C | 109.5 |
| O2—P2—N5 | 108.9 (4) | N4—C9'—H9'A | 109.5 |
| N4—P2—N5 | 114.8 (6) | N4—C9'—H9'B | 109.5 |
| N6—P2—N5 | 98.5 (5) | H9'A—C9'—H9'B | 109.5 |
| O3—P3—N9 | 111.6 (3) | N4—C9'—H9'C | 109.5 |
| O3—P3—N7 | 108.4 (3) | H9'A—C9'—H9'C | 109.5 |
| N9—P3—N7 | 109.2 (4) | H9'B—C9'—H9'C | 109.5 |
| O3—P3—N8 | 111.1 (3) | N4—C10—H10D | 109.5 |
| N9—P3—N8 | 107.1 (4) | N4—C10—H10E | 109.5 |
| N7—P3—N8 | 109.3 (4) | H10D—C10—H10E | 109.5 |
| O4—P4—N11' | 123.5 (7) | N4—C10—H10F | 109.5 |
| O4—P4—N10 | 109.3 (6) | H10D—C10—H10F | 109.5 |
| N11'—P4—N10 | 122.5 (8) | H10E—C10—H10F | 109.5 |
| O4—P4—N12' | 107.1 (7) | N4—C10'—H10G | 109.5 |
| N11'—P4—N12' | 75.6 (9) | N4—C10'—H10H | 109.5 |
| N10—P4—N12' | 110.7 (9) | H10G—C10'—H10H | 109.5 |
| O4—P4—N10' | 112.3 (6) | N4—C10'—H10I | 109.5 |
| N11'—P4—N10' | 94.6 (8) | H10G—C10'—H10I | 109.5 |
| N12'—P4—N10' | 137.7 (8) | H10H—C10'—H10I | 109.5 |
| O4—P4—N11 | 105.3 (6) | N6—C11—H11A | 109.5 |
| N10—P4—N11 | 112.7 (8) | N6—C11—H11B | 109.5 |
| N12'—P4—N11 | 111.5 (9) | H11A—C11—H11B | 109.5 |
| N10'—P4—N11 | 72.6 (8) | N6—C11—H11C | 109.5 |
| O4—P4—N12 | 115.3 (6) | H11A—C11—H11C | 109.5 |
| N11'—P4—N12 | 110.9 (9) | H11B—C11—H11C | 109.5 |
| N10—P4—N12 | 57.2 (8) | N6—C11'—H11D | 109.5 |
| N12'—P4—N12 | 54.2 (8) | N6—C11'—H11E | 109.5 |
| N10'—P4—N12 | 94.1 (8) | H11D—C11'—H11E | 109.5 |
| N11—P4—N12 | 139.3 (8) | N6—C11'—H11F | 109.5 |
| P1—O1—Nd1 | 167.7 (4) | H11D—C11'—H11F | 109.5 |
| P4—O4—Nd1 | 168.7 (4) | H11E—C11'—H11F | 109.5 |
| P2—O2—Nd1 | 160.0 (3) | N6—C12—H12A | 109.5 |
| P3—O3—Nd1 | 167.4 (3) | N6—C12—H12B | 109.5 |
| N13—O5—Nd1 | 95.8 (4) | H12A—C12—H12B | 109.5 |
| N13—O6—Nd1 | 96.0 (4) | N6—C12—H12C | 109.5 |
| N14—O8—Nd1 | 95.9 (4) | H12A—C12—H12C | 109.5 |
| N14—O9—Nd1 | 96.8 (5) | H12B—C12—H12C | 109.5 |
| C1'—N1—C2 | 113.6 (14) | N6—C12'—H12D | 109.5 |
| C1—N1—C2 | 115.3 (14) | N6—C12'—H12E | 109.5 |
| C1'—N1—P1 | 125.3 (13) | H12D—C12'—H12E | 109.5 |
| C1—N1—P1 | 116.5 (13) | N6—C12'—H12F | 109.5 |
| C2—N1—P1 | 120.5 (8) | H12D—C12'—H12F | 109.5 |
| C4—N2—C3' | 96 (2) | H12E—C12'—H12F | 109.5 |
| C4—N2—C3 | 112 (2) | H17A—C17—H17B | 109.5 |
| C4—N2—P1 | 127.5 (10) | H17A—C17—H17C | 109.5 |
| C3'—N2—P1 | 122.8 (19) | H17B—C17—H17C | 109.5 |
| C3—N2—P1 | 118.8 (19) | N9—C17'—H17D | 109.5 |
| C5'—N3—C6 | 104.0 (13) | N9—C17'—H17E | 109.5 |
| C6—N3—C5 | 126.3 (12) | H17D—C17'—H17E | 109.5 |
| C5'—N3—P1 | 127.9 (12) | N9—C17'—H17F | 109.5 |
| C6—N3—P1 | 122.3 (8) | H17D—C17'—H17F | 109.5 |
| C5—N3—P1 | 111.4 (11) | H17E—C17'—H17F | 109.5 |
| C10'—N4—C9 | 109.3 (14) | N10—C19—H19A | 109.5 |
| C9—N4—C10 | 106.1 (14) | N10—C19—H19B | 109.5 |
| C10'—N4—C9' | 110.4 (14) | H19A—C19—H19B | 109.5 |
| C10—N4—C9' | 121.1 (14) | N10—C19—H19C | 109.5 |
| C10'—N4—P2 | 126.2 (10) | H19A—C19—H19C | 109.5 |
| C9—N4—P2 | 122.3 (11) | H19B—C19—H19C | 109.5 |
| C10—N4—P2 | 116.5 (10) | N10'—C19'—H19D | 109.5 |
| C9'—N4—P2 | 121.5 (11) | N10'—C19'—H19E | 109.5 |
| C7—N5—C8 | 112.3 (11) | H19D—C19'—H19E | 109.5 |
| C7—N5—P2 | 122.0 (9) | N10'—C19'—H19F | 109.5 |
| C8—N5—P2 | 119.1 (8) | H19D—C19'—H19F | 109.5 |
| C12—N6—C11 | 86.0 (16) | H19E—C19'—H19F | 109.5 |
| C12—N6—C11' | 109.8 (16) | N10—C20—H20A | 109.5 |
| C11—N6—C12' | 114.6 (16) | N10—C20—H20B | 109.5 |
| C11'—N6—C12' | 136.9 (17) | H20A—C20—H20B | 109.5 |
| C12—N6—P2 | 135.9 (13) | N10—C20—H20C | 109.5 |
| C11—N6—P2 | 125.4 (13) | H20A—C20—H20C | 109.5 |
| C11'—N6—P2 | 110.4 (12) | H20B—C20—H20C | 109.5 |
| C12'—N6—P2 | 112.4 (12) | N10'—C20'—H20D | 109.5 |
| C13—N7—C14 | 114.5 (7) | N10'—C20'—H20E | 109.5 |
| C13—N7—P3 | 120.2 (5) | H20D—C20'—H20E | 109.5 |
| C14—N7—P3 | 122.5 (6) | N10'—C20'—H20F | 109.5 |
| C15—N8—C16 | 114.3 (8) | H20D—C20'—H20F | 109.5 |
| C15—N8—P3 | 125.3 (7) | H20E—C20'—H20F | 109.5 |
| C16—N8—P3 | 119.6 (6) | N11—C21—H21A | 109.5 |
| C17'—N9—C18 | 103.7 (11) | N11—C21—H21B | 109.5 |
| C17'—N9—P3 | 136.4 (11) | H21A—C21—H21B | 109.5 |
| C18—N9—P3 | 119.4 (7) | N11—C21—H21C | 109.5 |
| O7—N13—O6 | 122.7 (7) | H21A—C21—H21C | 109.5 |
| O7—N13—O5 | 119.6 (8) | H21B—C21—H21C | 109.5 |
| O6—N13—O5 | 117.6 (7) | N11'—C21'—H21D | 109.5 |
| O7—N13—Nd1 | 171.7 (6) | N11'—C21'—H21E | 109.5 |
| O6—N13—Nd1 | 59.0 (4) | H21D—C21'—H21E | 109.5 |
| O5—N13—Nd1 | 59.2 (4) | N11'—C21'—H21F | 109.5 |
| O10—N14—O9 | 121.2 (8) | H21D—C21'—H21F | 109.5 |
| O10—N14—O8 | 121.8 (8) | H21E—C21'—H21F | 109.5 |
| O9—N14—O8 | 117.0 (7) | N11—C22—H22A | 109.5 |
| O10—N14—Nd1 | 174.2 (7) | N11—C22—H22B | 109.5 |
| O9—N14—Nd1 | 58.4 (4) | H22A—C22—H22B | 109.5 |
| O8—N14—Nd1 | 58.9 (4) | N11—C22—H22C | 109.5 |
| N1—C2—H2A | 109.5 | H22A—C22—H22C | 109.5 |
| N1—C2—H2B | 109.5 | H22B—C22—H22C | 109.5 |
| H2A—C2—H2B | 109.5 | H22D—C22'—H22E | 109.5 |
| N1—C2—H2C | 109.5 | H22D—C22'—H22F | 109.5 |
| H2A—C2—H2C | 109.5 | H22E—C22'—H22F | 109.5 |
| H2B—C2—H2C | 109.5 | N12'—C24'—H24C | 109.5 |
| N2—C4—H4A | 109.5 | N12'—C24'—H24E | 109.5 |
| N2—C4—H4B | 109.5 | H24C—C24'—H24E | 109.5 |
| H4A—C4—H4B | 109.5 | N12'—C24'—H24F | 109.5 |
| N2—C4—H4C | 109.5 | H24C—C24'—H24F | 109.5 |
| H4A—C4—H4C | 109.5 | H24E—C24'—H24F | 109.5 |
| H4B—C4—H4C | 109.5 | N12—C24—H24A | 109.5 |
| N3—C6—H6A | 109.5 | N12—C24—H24B | 109.5 |
| N3—C6—H6B | 109.5 | H24A—C24—H24B | 109.5 |
| H6A—C6—H6B | 109.5 | N12—C24—H24D | 109.5 |
| N3—C6—H6C | 109.5 | H24A—C24—H24D | 109.5 |
| H6A—C6—H6C | 109.5 | H24B—C24—H24D | 109.5 |
| H6B—C6—H6C | 109.5 | N12'—C23'—H23A | 109.5 |
| N5—C7—H7A | 109.5 | N12'—C23'—H23D | 109.5 |
| N5—C7—H7B | 109.5 | H23A—C23'—H23D | 109.5 |
| H7A—C7—H7B | 109.5 | N12'—C23'—H23B | 109.5 |
| N5—C7—H7C | 109.5 | H23A—C23'—H23B | 109.5 |
| H7A—C7—H7C | 109.5 | H23D—C23'—H23B | 109.5 |
| H7B—C7—H7C | 109.5 | N12—C23—H23C | 109.5 |
| N5—C8—H8A | 109.5 | N12—C23—H23G | 109.5 |
| N5—C8—H8B | 109.5 | H23C—C23—H23G | 109.5 |
| H8A—C8—H8B | 109.5 | N12—C23—H23E | 109.5 |
| N5—C8—H8C | 109.5 | H23C—C23—H23E | 109.5 |
| H8A—C8—H8C | 109.5 | H23G—C23—H23E | 109.5 |
| H8B—C8—H8C | 109.5 |