| Literature DB >> 22064929 |
Abstract
The Sm atom in the cation of the title salt, {[Sm(NO(3))(2)(C(6)H(18)N(3)OP)(4)][AgS(4)W]}(n), is coordinated by eight O atoms derived from two chelating nitrate anions, and four hexamethylphos-phoramide ligand, defining a distorted square-antiprismatic geometry. The anions self-assemble into polymeric chains via W-S-Ag bridges having a [AgS(4)W] repeat unit; the W-Ag-W and Ag-W-Ag angles are 161.657 (17) and 153.978 (9)°, respectively. The title complex is isostructural with the Y, Yb, Eu, Nd, La and Dy isomorphs.Entities:
Year: 2011 PMID: 22064929 PMCID: PMC3201561 DOI: 10.1107/S1600536811035574
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Sm(NO3)2(C6H18N3OP)4][AgS4W] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 22427 reflections |
| θ = 3.0–29.1° | |
| µ = 3.92 mm−1 | |
| β = 91.03 (3)° | Block, orange |
| 0.2 × 0.16 × 0.1 mm | |
| Rigaku Saturn724+ diffractometer | 9738 independent reflections |
| Radiation source: fine-focus sealed tube | 9057 reflections with |
| graphite | |
| dtprofit.ref scans | θmax = 25.4°, θmin = 3.0° |
| Absorption correction: multi-scan ( | |
| 24655 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 | |
| 9738 reflections | (Δ/σ)max = 0.001 |
| 532 parameters | Δρmax = 1.16 e Å−3 |
| 0 restraints | Δρmin = −1.06 e Å−3 |
| 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 |
| Sm1 | 0.737078 (14) | 0.082698 (7) | 0.82970 (2) | 0.02352 (7) | |
| P1 | 0.69501 (9) | −0.03068 (4) | 0.69384 (12) | 0.0347 (3) | |
| P2 | 0.51916 (8) | 0.13456 (4) | 0.82656 (11) | 0.0288 (3) | |
| P3 | 0.79653 (11) | 0.14726 (5) | 1.10222 (14) | 0.0467 (4) | |
| P4 | 0.96063 (8) | 0.09563 (4) | 0.73301 (13) | 0.0335 (3) | |
| O1 | 0.7061 (2) | 0.01700 (11) | 0.7267 (3) | 0.0348 (8) | |
| O2 | 0.59965 (19) | 0.10824 (11) | 0.8257 (3) | 0.0311 (8) | |
| O3 | 0.7729 (2) | 0.12756 (11) | 0.9874 (3) | 0.0366 (8) | |
| O4 | 0.8783 (2) | 0.08027 (11) | 0.7821 (3) | 0.0364 (8) | |
| O5 | 0.7995 (2) | 0.02572 (12) | 0.9719 (3) | 0.0395 (9) | |
| O6 | 0.6671 (2) | 0.04009 (12) | 0.9942 (3) | 0.0368 (8) | |
| O7 | 0.7350 (3) | 0.00096 (15) | 1.1273 (4) | 0.0596 (12) | |
| O8 | 0.7511 (2) | 0.15923 (11) | 0.7355 (3) | 0.0396 (9) | |
| O9 | 0.7221 (2) | 0.10477 (12) | 0.6171 (3) | 0.0396 (9) | |
| O10 | 0.7223 (4) | 0.17283 (16) | 0.5515 (4) | 0.0772 (16) | |
| N1 | 0.7339 (3) | 0.02158 (14) | 1.0343 (4) | 0.0376 (10) | |
| N2 | 0.7320 (3) | 0.14657 (15) | 0.6320 (4) | 0.0423 (11) | |
| N3 | 0.7169 (3) | −0.03673 (15) | 0.5547 (4) | 0.0448 (12) | |
| N4 | 0.7591 (4) | −0.06646 (16) | 0.7605 (5) | 0.0589 (15) | |
| N5 | 0.6019 (4) | −0.0476 (2) | 0.7318 (6) | 0.0703 (18) | |
| N6 | 0.4419 (2) | 0.09986 (15) | 0.8524 (4) | 0.0338 (10) | |
| N7 | 0.5222 (3) | 0.17346 (16) | 0.9285 (5) | 0.0464 (12) | |
| N8 | 0.5024 (3) | 0.15940 (18) | 0.7019 (4) | 0.0485 (12) | |
| N9 | 0.8986 (5) | 0.1380 (2) | 1.1266 (7) | 0.090 (2) | |
| N10 | 0.7788 (5) | 0.19980 (17) | 1.1016 (5) | 0.0719 (19) | |
| N11 | 0.7432 (6) | 0.1236 (2) | 1.2050 (5) | 0.089 (2) | |
| N12 | 1.0359 (3) | 0.07061 (17) | 0.8063 (5) | 0.0503 (13) | |
| N13 | 0.9587 (3) | 0.0852 (2) | 0.5901 (5) | 0.0572 (14) | |
| N14 | 0.9844 (3) | 0.14859 (16) | 0.7372 (5) | 0.0534 (14) | |
| C1 | 0.7225 (5) | −0.0823 (2) | 0.5013 (6) | 0.067 (2) | |
| H1A | 0.7358 | −0.0796 | 0.4196 | 0.101* | |
| H1B | 0.6693 | −0.0975 | 0.5087 | 0.101* | |
| H1C | 0.7659 | −0.0993 | 0.5411 | 0.101* | |
| C2 | 0.6989 (5) | −0.0014 (2) | 0.4712 (6) | 0.0655 (19) | |
| H2A | 0.7162 | −0.0107 | 0.3944 | 0.098* | |
| H2B | 0.7293 | 0.0253 | 0.4939 | 0.098* | |
| H2C | 0.6393 | 0.0048 | 0.4697 | 0.098* | |
| C3 | 0.7518 (7) | −0.0816 (3) | 0.8757 (8) | 0.101 (3) | |
| H3A | 0.7976 | −0.1017 | 0.8942 | 0.152* | |
| H3B | 0.6990 | −0.0971 | 0.8839 | 0.152* | |
| H3C | 0.7538 | −0.0564 | 0.9284 | 0.152* | |
| C4 | 0.8489 (6) | −0.0704 (3) | 0.7282 (9) | 0.107 (3) | |
| H4A | 0.8761 | −0.0926 | 0.7770 | 0.161* | |
| H4B | 0.8765 | −0.0419 | 0.7395 | 0.161* | |
| H4C | 0.8525 | −0.0791 | 0.6472 | 0.161* | |
| C5 | 0.5332 (4) | −0.0162 (3) | 0.7495 (7) | 0.070 (2) | |
| H5A | 0.4831 | −0.0325 | 0.7701 | 0.105* | |
| H5B | 0.5227 | 0.0004 | 0.6784 | 0.105* | |
| H5C | 0.5482 | 0.0042 | 0.8118 | 0.105* | |
| C6 | 0.5771 (6) | −0.0950 (3) | 0.7156 (8) | 0.107 (4) | |
| H6A | 0.5200 | −0.0991 | 0.7408 | 0.160* | |
| H6B | 0.6142 | −0.1139 | 0.7615 | 0.160* | |
| H6C | 0.5809 | −0.1029 | 0.6341 | 0.160* | |
| C7 | 0.3539 (3) | 0.1094 (2) | 0.8175 (5) | 0.0477 (15) | |
| H7A | 0.3184 | 0.0849 | 0.8408 | 0.072* | |
| H7B | 0.3500 | 0.1131 | 0.7337 | 0.072* | |
| H7C | 0.3357 | 0.1365 | 0.8551 | 0.072* | |
| C8 | 0.4516 (4) | 0.0658 (2) | 0.9449 (5) | 0.0459 (14) | |
| H8A | 0.4009 | 0.0483 | 0.9490 | 0.069* | |
| H8B | 0.4620 | 0.0804 | 1.0191 | 0.069* | |
| H8C | 0.4984 | 0.0466 | 0.9273 | 0.069* | |
| C9 | 0.4536 (4) | 0.1839 (2) | 1.0070 (6) | 0.0572 (17) | |
| H9A | 0.4703 | 0.2080 | 1.0585 | 0.086* | |
| H9B | 0.4404 | 0.1578 | 1.0529 | 0.086* | |
| H9C | 0.4046 | 0.1927 | 0.9617 | 0.086* | |
| C10 | 0.5905 (4) | 0.2073 (2) | 0.9267 (7) | 0.0650 (19) | |
| H10A | 0.5838 | 0.2278 | 0.9910 | 0.098* | |
| H10B | 0.5876 | 0.2236 | 0.8538 | 0.098* | |
| H10C | 0.6443 | 0.1926 | 0.9341 | 0.098* | |
| C11 | 0.5143 (5) | 0.1364 (3) | 0.5944 (6) | 0.079 (2) | |
| H11A | 0.5015 | 0.1562 | 0.5299 | 0.118* | |
| H11B | 0.4774 | 0.1108 | 0.5906 | 0.118* | |
| H11C | 0.5719 | 0.1266 | 0.5899 | 0.118* | |
| C12 | 0.4619 (5) | 0.2038 (3) | 0.6899 (8) | 0.084 (3) | |
| H12A | 0.4582 | 0.2119 | 0.6082 | 0.125* | |
| H12B | 0.4949 | 0.2258 | 0.7319 | 0.125* | |
| H12C | 0.4061 | 0.2026 | 0.7217 | 0.125* | |
| C13 | 0.9369 (5) | 0.0953 (3) | 1.1123 (9) | 0.096 (3) | |
| H13A | 0.9958 | 0.0972 | 1.1340 | 0.144* | |
| H13B | 0.9314 | 0.0861 | 1.0316 | 0.144* | |
| H13C | 0.9096 | 0.0737 | 1.1616 | 0.144* | |
| C14 | 0.9560 (7) | 0.1710 (4) | 1.1831 (10) | 0.135 (5) | |
| H14A | 1.0115 | 0.1583 | 1.1913 | 0.202* | |
| H14B | 0.9352 | 0.1787 | 1.2594 | 0.202* | |
| H14C | 0.9584 | 0.1976 | 1.1355 | 0.202* | |
| C15 | 0.8064 (5) | 0.22735 (19) | 1.0012 (6) | 0.0614 (19) | |
| H15A | 0.7914 | 0.2582 | 1.0144 | 0.092* | |
| H15B | 0.7790 | 0.2169 | 0.9304 | 0.092* | |
| H15C | 0.8666 | 0.2249 | 0.9938 | 0.092* | |
| C16 | 0.7532 (8) | 0.2255 (3) | 1.2080 (7) | 0.122 (5) | |
| H16A | 0.7462 | 0.2566 | 1.1880 | 0.183* | |
| H16B | 0.7961 | 0.2226 | 1.2683 | 0.183* | |
| H16C | 0.7008 | 0.2138 | 1.2362 | 0.183* | |
| C17 | 0.6521 (6) | 0.1215 (3) | 1.1937 (8) | 0.099 (3) | |
| H17A | 0.6295 | 0.1070 | 1.2617 | 0.149* | |
| H17B | 0.6367 | 0.1047 | 1.1245 | 0.149* | |
| H17C | 0.6295 | 0.1513 | 1.1874 | 0.149* | |
| C18 | 0.7897 (10) | 0.1068 (4) | 1.3136 (8) | 0.168 (7) | |
| H18A | 0.7500 | 0.0942 | 1.3673 | 0.252* | |
| H18B | 0.8191 | 0.1313 | 1.3509 | 0.252* | |
| H18C | 0.8297 | 0.0841 | 1.2916 | 0.252* | |
| C19 | 1.0227 (4) | 0.0278 (2) | 0.8622 (7) | 0.072 (2) | |
| H19A | 1.0740 | 0.0184 | 0.9012 | 0.108* | |
| H19B | 1.0067 | 0.0059 | 0.8038 | 0.108* | |
| H19C | 0.9786 | 0.0305 | 0.9187 | 0.108* | |
| C20 | 1.1249 (4) | 0.0812 (3) | 0.7889 (8) | 0.092 (3) | |
| H20A | 1.1594 | 0.0631 | 0.8405 | 0.139* | |
| H20B | 1.1346 | 0.1124 | 0.8059 | 0.139* | |
| H20C | 1.1393 | 0.0752 | 0.7088 | 0.139* | |
| C21 | 0.9098 (4) | 0.0469 (3) | 0.5462 (7) | 0.072 (2) | |
| H21A | 0.9144 | 0.0451 | 0.4623 | 0.108* | |
| H21B | 0.8515 | 0.0507 | 0.5662 | 0.108* | |
| H21C | 0.9312 | 0.0198 | 0.5813 | 0.108* | |
| C22 | 1.0333 (5) | 0.0942 (4) | 0.5197 (7) | 0.093 (3) | |
| H22A | 1.0216 | 0.0862 | 0.4392 | 0.140* | |
| H22B | 1.0801 | 0.0767 | 0.5492 | 0.140* | |
| H22C | 1.0472 | 0.1255 | 0.5244 | 0.140* | |
| C23 | 0.9529 (5) | 0.1811 (3) | 0.6518 (9) | 0.094 (3) | |
| H23A | 0.9749 | 0.2103 | 0.6708 | 0.141* | |
| H23B | 0.8922 | 0.1818 | 0.6535 | 0.141* | |
| H23C | 0.9706 | 0.1726 | 0.5746 | 0.141* | |
| C24 | 1.0127 (6) | 0.1689 (3) | 0.8474 (8) | 0.099 (3) | |
| H24A | 1.0242 | 0.2002 | 0.8351 | 0.149* | |
| H24B | 1.0633 | 0.1541 | 0.8750 | 0.149* | |
| H24C | 0.9694 | 0.1657 | 0.9049 | 0.149* | |
| W1 | 0.214355 (12) | 0.272009 (6) | −0.022422 (15) | 0.02289 (6) | |
| Ag1 | 0.21554 (3) | 0.234663 (14) | 0.21751 (3) | 0.04033 (11) | |
| S1 | 0.21500 (10) | 0.19943 (4) | 0.01873 (11) | 0.0386 (3) | |
| S2 | 0.21225 (9) | 0.31505 (4) | 0.13519 (11) | 0.0332 (3) | |
| S3 | 0.10070 (9) | 0.28668 (5) | −0.12896 (12) | 0.0397 (3) | |
| S4 | 0.32849 (8) | 0.28805 (5) | −0.12238 (11) | 0.0397 (3) |
| Sm1 | 0.01783 (12) | 0.01705 (12) | 0.03568 (14) | 0.00005 (9) | 0.00088 (10) | 0.00038 (10) |
| P1 | 0.0428 (8) | 0.0251 (6) | 0.0365 (7) | −0.0083 (6) | 0.0102 (6) | −0.0077 (6) |
| P2 | 0.0202 (6) | 0.0330 (7) | 0.0333 (7) | 0.0051 (5) | −0.0012 (5) | 0.0043 (6) |
| P3 | 0.0650 (11) | 0.0349 (8) | 0.0395 (8) | −0.0128 (7) | −0.0210 (7) | 0.0034 (7) |
| P4 | 0.0202 (6) | 0.0308 (7) | 0.0497 (8) | −0.0007 (5) | 0.0042 (6) | 0.0067 (6) |
| O1 | 0.038 (2) | 0.0229 (17) | 0.044 (2) | −0.0018 (15) | −0.0006 (16) | −0.0052 (16) |
| O2 | 0.0195 (17) | 0.0330 (18) | 0.0407 (19) | 0.0057 (14) | −0.0002 (14) | −0.0011 (16) |
| O3 | 0.034 (2) | 0.0316 (19) | 0.044 (2) | −0.0028 (15) | −0.0102 (16) | −0.0045 (16) |
| O4 | 0.0193 (17) | 0.0331 (19) | 0.057 (2) | −0.0005 (14) | 0.0044 (16) | 0.0074 (17) |
| O5 | 0.0250 (19) | 0.0344 (19) | 0.059 (2) | −0.0006 (15) | −0.0022 (17) | 0.0104 (18) |
| O6 | 0.0261 (19) | 0.0362 (19) | 0.048 (2) | −0.0016 (15) | −0.0019 (16) | 0.0101 (17) |
| O7 | 0.058 (3) | 0.064 (3) | 0.057 (3) | −0.004 (2) | −0.008 (2) | 0.031 (2) |
| O8 | 0.041 (2) | 0.0272 (18) | 0.051 (2) | −0.0057 (16) | −0.0033 (18) | 0.0028 (17) |
| O9 | 0.046 (2) | 0.0301 (19) | 0.042 (2) | −0.0039 (16) | 0.0071 (17) | 0.0024 (17) |
| O10 | 0.120 (5) | 0.050 (3) | 0.060 (3) | −0.025 (3) | −0.013 (3) | 0.034 (2) |
| N1 | 0.039 (3) | 0.027 (2) | 0.046 (3) | −0.0047 (19) | −0.007 (2) | 0.007 (2) |
| N2 | 0.039 (3) | 0.038 (3) | 0.051 (3) | −0.007 (2) | 0.002 (2) | 0.015 (2) |
| N3 | 0.061 (3) | 0.038 (3) | 0.036 (2) | −0.011 (2) | 0.009 (2) | −0.010 (2) |
| N4 | 0.092 (4) | 0.027 (2) | 0.058 (3) | 0.009 (3) | 0.021 (3) | 0.007 (2) |
| N5 | 0.058 (4) | 0.066 (4) | 0.088 (4) | −0.031 (3) | 0.034 (3) | −0.040 (3) |
| N6 | 0.020 (2) | 0.043 (2) | 0.039 (2) | 0.0006 (18) | −0.0016 (18) | 0.002 (2) |
| N7 | 0.037 (3) | 0.042 (3) | 0.061 (3) | 0.006 (2) | 0.006 (2) | −0.009 (2) |
| N8 | 0.034 (3) | 0.070 (3) | 0.041 (3) | −0.002 (2) | −0.007 (2) | 0.023 (3) |
| N9 | 0.097 (5) | 0.057 (4) | 0.113 (6) | −0.015 (4) | −0.066 (4) | −0.008 (4) |
| N10 | 0.136 (6) | 0.035 (3) | 0.044 (3) | −0.009 (3) | 0.006 (3) | −0.009 (3) |
| N11 | 0.149 (7) | 0.069 (4) | 0.051 (4) | −0.040 (5) | −0.003 (4) | 0.004 (3) |
| N12 | 0.022 (2) | 0.062 (3) | 0.067 (3) | 0.003 (2) | 0.004 (2) | 0.040 (3) |
| N13 | 0.037 (3) | 0.083 (4) | 0.052 (3) | −0.012 (3) | 0.004 (2) | 0.013 (3) |
| N14 | 0.035 (3) | 0.040 (3) | 0.085 (4) | −0.002 (2) | 0.014 (3) | 0.011 (3) |
| C1 | 0.090 (6) | 0.053 (4) | 0.059 (4) | −0.013 (4) | 0.025 (4) | −0.026 (3) |
| C2 | 0.087 (5) | 0.067 (5) | 0.042 (4) | 0.001 (4) | −0.007 (3) | −0.001 (3) |
| C3 | 0.128 (8) | 0.080 (6) | 0.097 (7) | 0.047 (6) | 0.018 (6) | 0.027 (5) |
| C4 | 0.074 (6) | 0.118 (8) | 0.131 (9) | 0.032 (6) | 0.016 (6) | 0.037 (7) |
| C5 | 0.039 (4) | 0.074 (5) | 0.097 (6) | −0.001 (3) | −0.005 (4) | 0.017 (4) |
| C6 | 0.124 (8) | 0.084 (6) | 0.114 (7) | −0.069 (6) | 0.062 (6) | −0.044 (6) |
| C7 | 0.023 (3) | 0.071 (4) | 0.049 (3) | 0.000 (3) | −0.004 (2) | 0.004 (3) |
| C8 | 0.036 (3) | 0.053 (4) | 0.049 (3) | 0.004 (3) | 0.008 (3) | 0.012 (3) |
| C9 | 0.055 (4) | 0.058 (4) | 0.059 (4) | 0.020 (3) | 0.014 (3) | −0.014 (3) |
| C10 | 0.055 (4) | 0.045 (4) | 0.096 (6) | −0.006 (3) | 0.013 (4) | −0.017 (4) |
| C11 | 0.064 (5) | 0.132 (8) | 0.040 (4) | −0.007 (5) | −0.010 (3) | −0.005 (4) |
| C12 | 0.064 (5) | 0.078 (5) | 0.109 (7) | 0.017 (4) | −0.014 (5) | 0.052 (5) |
| C13 | 0.066 (5) | 0.075 (5) | 0.144 (9) | −0.005 (4) | −0.054 (6) | 0.022 (6) |
| C14 | 0.132 (10) | 0.147 (10) | 0.123 (9) | −0.068 (8) | −0.062 (7) | 0.003 (8) |
| C15 | 0.102 (6) | 0.030 (3) | 0.052 (4) | −0.002 (3) | −0.001 (4) | −0.001 (3) |
| C16 | 0.246 (14) | 0.060 (5) | 0.061 (5) | −0.035 (7) | 0.036 (7) | −0.039 (4) |
| C17 | 0.116 (8) | 0.109 (7) | 0.075 (6) | −0.042 (6) | 0.045 (6) | −0.003 (5) |
| C18 | 0.303 (19) | 0.158 (11) | 0.043 (5) | 0.075 (12) | 0.014 (8) | 0.035 (6) |
| C19 | 0.041 (4) | 0.067 (5) | 0.107 (6) | 0.008 (3) | 0.008 (4) | 0.046 (4) |
| C20 | 0.029 (4) | 0.124 (7) | 0.124 (7) | 0.003 (4) | 0.005 (4) | 0.075 (6) |
| C21 | 0.052 (4) | 0.098 (6) | 0.065 (5) | −0.004 (4) | 0.004 (3) | −0.023 (4) |
| C22 | 0.061 (5) | 0.160 (9) | 0.060 (5) | −0.027 (5) | 0.015 (4) | 0.008 (5) |
| C23 | 0.053 (5) | 0.057 (4) | 0.174 (9) | 0.010 (4) | 0.020 (5) | 0.060 (6) |
| C24 | 0.123 (8) | 0.076 (6) | 0.101 (7) | −0.049 (5) | 0.037 (6) | −0.036 (5) |
| W1 | 0.02651 (11) | 0.02400 (10) | 0.01807 (10) | 0.00269 (7) | −0.00193 (7) | −0.00178 (7) |
| Ag1 | 0.0602 (3) | 0.0406 (2) | 0.02010 (19) | 0.00097 (19) | −0.00104 (18) | 0.00200 (16) |
| S1 | 0.0613 (9) | 0.0251 (6) | 0.0294 (6) | 0.0055 (6) | −0.0003 (6) | −0.0031 (5) |
| S2 | 0.0463 (8) | 0.0273 (6) | 0.0261 (6) | −0.0009 (5) | 0.0009 (5) | −0.0064 (5) |
| S3 | 0.0315 (7) | 0.0569 (9) | 0.0306 (7) | 0.0133 (6) | −0.0067 (5) | −0.0023 (6) |
| S4 | 0.0310 (7) | 0.0575 (9) | 0.0307 (7) | −0.0069 (6) | 0.0018 (5) | −0.0040 (6) |
| Sm1—O3 | 2.298 (3) | C6—H6A | 0.9600 |
| Sm1—O2 | 2.303 (3) | C6—H6B | 0.9600 |
| Sm1—O4 | 2.309 (3) | C6—H6C | 0.9600 |
| Sm1—O1 | 2.328 (3) | C7—H7A | 0.9600 |
| Sm1—O9 | 2.512 (4) | C7—H7B | 0.9600 |
| Sm1—O8 | 2.529 (3) | C7—H7C | 0.9600 |
| Sm1—O6 | 2.531 (3) | C8—H8A | 0.9600 |
| Sm1—O5 | 2.532 (4) | C8—H8B | 0.9600 |
| Sm1—N2 | 2.944 (5) | C8—H8C | 0.9600 |
| Sm1—N1 | 2.954 (4) | C9—H9A | 0.9600 |
| P1—O1 | 1.477 (3) | C9—H9B | 0.9600 |
| P1—N5 | 1.622 (5) | C9—H9C | 0.9600 |
| P1—N3 | 1.635 (5) | C10—H10A | 0.9600 |
| P1—N4 | 1.646 (6) | C10—H10B | 0.9600 |
| P2—O2 | 1.495 (3) | C10—H10C | 0.9600 |
| P2—N8 | 1.616 (5) | C11—H11A | 0.9600 |
| P2—N6 | 1.631 (4) | C11—H11B | 0.9600 |
| P2—N7 | 1.639 (5) | C11—H11C | 0.9600 |
| P3—O3 | 1.474 (4) | C12—H12A | 0.9600 |
| P3—N10 | 1.589 (6) | C12—H12B | 0.9600 |
| P3—N11 | 1.615 (7) | C12—H12C | 0.9600 |
| P3—N9 | 1.656 (7) | C13—H13A | 0.9600 |
| P4—O4 | 1.498 (3) | C13—H13B | 0.9600 |
| P4—N14 | 1.621 (5) | C13—H13C | 0.9600 |
| P4—N12 | 1.622 (5) | C14—H14A | 0.9600 |
| P4—N13 | 1.654 (6) | C14—H14B | 0.9600 |
| O5—N1 | 1.274 (6) | C14—H14C | 0.9600 |
| O6—N1 | 1.269 (5) | C15—H15A | 0.9600 |
| O7—N1 | 1.223 (6) | C15—H15B | 0.9600 |
| O8—N2 | 1.268 (6) | C15—H15C | 0.9600 |
| O9—N2 | 1.265 (6) | C16—H16A | 0.9600 |
| O10—N2 | 1.211 (6) | C16—H16B | 0.9600 |
| N3—C2 | 1.443 (8) | C16—H16C | 0.9600 |
| N3—C1 | 1.491 (7) | C17—H17A | 0.9600 |
| N4—C3 | 1.391 (10) | C17—H17B | 0.9600 |
| N4—C4 | 1.479 (10) | C17—H17C | 0.9600 |
| N5—C5 | 1.450 (9) | C18—H18A | 0.9600 |
| N5—C6 | 1.475 (9) | C18—H18B | 0.9600 |
| N6—C8 | 1.467 (7) | C18—H18C | 0.9600 |
| N6—C7 | 1.469 (6) | C19—H19A | 0.9600 |
| N7—C9 | 1.452 (7) | C19—H19B | 0.9600 |
| N7—C10 | 1.477 (8) | C19—H19C | 0.9600 |
| N8—C11 | 1.417 (9) | C20—H20A | 0.9600 |
| N8—C12 | 1.473 (8) | C20—H20B | 0.9600 |
| N9—C13 | 1.418 (10) | C20—H20C | 0.9600 |
| N9—C14 | 1.479 (10) | C21—H21A | 0.9600 |
| N10—C15 | 1.477 (8) | C21—H21B | 0.9600 |
| N10—C16 | 1.494 (9) | C21—H21C | 0.9600 |
| N11—C17 | 1.446 (11) | C22—H22A | 0.9600 |
| N11—C18 | 1.512 (12) | C22—H22B | 0.9600 |
| N12—C19 | 1.441 (8) | C22—H22C | 0.9600 |
| N12—C20 | 1.460 (8) | C23—H23A | 0.9600 |
| N13—C21 | 1.462 (9) | C23—H23B | 0.9600 |
| N13—C22 | 1.462 (8) | C23—H23C | 0.9600 |
| N14—C23 | 1.453 (9) | C24—H24A | 0.9600 |
| N14—C24 | 1.454 (10) | C24—H24B | 0.9600 |
| C1—H1A | 0.9600 | C24—H24C | 0.9600 |
| C1—H1B | 0.9600 | W1—S3 | 2.1936 (14) |
| C1—H1C | 0.9600 | W1—S4 | 2.2030 (14) |
| C2—H2A | 0.9600 | W1—S2 | 2.2039 (12) |
| C2—H2B | 0.9600 | W1—S1 | 2.2105 (14) |
| C2—H2C | 0.9600 | W1—Ag1 | 2.9461 (6) |
| C3—H3A | 0.9600 | W1—Ag1i | 2.9645 (7) |
| C3—H3B | 0.9600 | Ag1—S1 | 2.4918 (14) |
| C3—H3C | 0.9600 | Ag1—S2 | 2.5698 (14) |
| C4—H4A | 0.9600 | Ag1—S4ii | 2.6167 (16) |
| C4—H4B | 0.9600 | Ag1—S3ii | 2.6202 (16) |
| C4—H4C | 0.9600 | Ag1—W1ii | 2.9645 (7) |
| C5—H5A | 0.9600 | S3—Ag1i | 2.6202 (16) |
| C5—H5B | 0.9600 | S4—Ag1i | 2.6167 (16) |
| C5—H5C | 0.9600 | ||
| O3—Sm1—O2 | 92.45 (12) | N5—C5—H5C | 109.5 |
| O3—Sm1—O4 | 88.58 (13) | H5A—C5—H5C | 109.5 |
| O2—Sm1—O4 | 157.31 (12) | H5B—C5—H5C | 109.5 |
| O3—Sm1—O1 | 158.08 (12) | N5—C6—H6A | 109.5 |
| O2—Sm1—O1 | 94.44 (12) | N5—C6—H6B | 109.5 |
| O4—Sm1—O1 | 92.95 (12) | H6A—C6—H6B | 109.5 |
| O3—Sm1—O9 | 128.05 (12) | N5—C6—H6C | 109.5 |
| O2—Sm1—O9 | 79.75 (12) | H6A—C6—H6C | 109.5 |
| O4—Sm1—O9 | 81.80 (13) | H6B—C6—H6C | 109.5 |
| O1—Sm1—O9 | 73.74 (12) | N6—C7—H7A | 109.5 |
| O3—Sm1—O8 | 77.56 (12) | N6—C7—H7B | 109.5 |
| O2—Sm1—O8 | 77.52 (12) | H7A—C7—H7B | 109.5 |
| O4—Sm1—O8 | 80.58 (12) | N6—C7—H7C | 109.5 |
| O1—Sm1—O8 | 124.27 (12) | H7A—C7—H7C | 109.5 |
| O9—Sm1—O8 | 50.53 (12) | H7B—C7—H7C | 109.5 |
| O3—Sm1—O6 | 79.60 (12) | N6—C8—H8A | 109.5 |
| O2—Sm1—O6 | 75.82 (12) | N6—C8—H8B | 109.5 |
| O4—Sm1—O6 | 126.53 (12) | H8A—C8—H8B | 109.5 |
| O1—Sm1—O6 | 81.97 (12) | N6—C8—H8C | 109.5 |
| O9—Sm1—O6 | 143.84 (12) | H8A—C8—H8C | 109.5 |
| O8—Sm1—O6 | 143.82 (12) | H8B—C8—H8C | 109.5 |
| O3—Sm1—O5 | 78.65 (12) | N7—C9—H9A | 109.5 |
| O2—Sm1—O5 | 126.25 (12) | N7—C9—H9B | 109.5 |
| O4—Sm1—O5 | 76.16 (12) | H9A—C9—H9B | 109.5 |
| O1—Sm1—O5 | 80.49 (12) | N7—C9—H9C | 109.5 |
| O9—Sm1—O5 | 144.96 (12) | H9A—C9—H9C | 109.5 |
| O8—Sm1—O5 | 146.92 (12) | H9B—C9—H9C | 109.5 |
| O6—Sm1—O5 | 50.43 (11) | N7—C10—H10A | 109.5 |
| O3—Sm1—N2 | 102.91 (13) | N7—C10—H10B | 109.5 |
| O2—Sm1—N2 | 76.03 (13) | H10A—C10—H10B | 109.5 |
| O4—Sm1—N2 | 81.64 (13) | N7—C10—H10C | 109.5 |
| O1—Sm1—N2 | 98.95 (13) | H10A—C10—H10C | 109.5 |
| O9—Sm1—N2 | 25.25 (12) | H10B—C10—H10C | 109.5 |
| O8—Sm1—N2 | 25.35 (12) | N8—C11—H11A | 109.5 |
| O6—Sm1—N2 | 151.82 (12) | N8—C11—H11B | 109.5 |
| O5—Sm1—N2 | 157.72 (12) | H11A—C11—H11B | 109.5 |
| O3—Sm1—N1 | 75.58 (12) | N8—C11—H11C | 109.5 |
| O2—Sm1—N1 | 100.93 (12) | H11A—C11—H11C | 109.5 |
| O4—Sm1—N1 | 101.28 (13) | H11B—C11—H11C | 109.5 |
| O1—Sm1—N1 | 82.68 (12) | N8—C12—H12A | 109.5 |
| O9—Sm1—N1 | 156.37 (12) | N8—C12—H12B | 109.5 |
| O8—Sm1—N1 | 153.01 (12) | H12A—C12—H12B | 109.5 |
| O6—Sm1—N1 | 25.26 (11) | N8—C12—H12C | 109.5 |
| O5—Sm1—N1 | 25.38 (12) | H12A—C12—H12C | 109.5 |
| N2—Sm1—N1 | 176.61 (13) | H12B—C12—H12C | 109.5 |
| O1—P1—N5 | 109.6 (3) | N9—C13—H13A | 109.5 |
| O1—P1—N3 | 108.9 (2) | N9—C13—H13B | 109.5 |
| N5—P1—N3 | 115.6 (3) | H13A—C13—H13B | 109.5 |
| O1—P1—N4 | 115.9 (3) | N9—C13—H13C | 109.5 |
| N5—P1—N4 | 103.3 (3) | H13A—C13—H13C | 109.5 |
| N3—P1—N4 | 103.6 (3) | H13B—C13—H13C | 109.5 |
| O2—P2—N8 | 111.1 (2) | N9—C14—H14A | 109.5 |
| O2—P2—N6 | 108.1 (2) | N9—C14—H14B | 109.5 |
| N8—P2—N6 | 109.6 (2) | H14A—C14—H14B | 109.5 |
| O2—P2—N7 | 111.1 (2) | N9—C14—H14C | 109.5 |
| N8—P2—N7 | 107.4 (3) | H14A—C14—H14C | 109.5 |
| N6—P2—N7 | 109.5 (2) | H14B—C14—H14C | 109.5 |
| O3—P3—N10 | 110.2 (3) | N10—C15—H15A | 109.5 |
| O3—P3—N11 | 109.9 (3) | N10—C15—H15B | 109.5 |
| N10—P3—N11 | 109.7 (4) | H15A—C15—H15B | 109.5 |
| O3—P3—N9 | 108.2 (3) | N10—C15—H15C | 109.5 |
| N10—P3—N9 | 109.7 (3) | H15A—C15—H15C | 109.5 |
| N11—P3—N9 | 109.1 (4) | H15B—C15—H15C | 109.5 |
| O4—P4—N14 | 119.3 (2) | N10—C16—H16A | 109.5 |
| O4—P4—N12 | 107.6 (2) | N10—C16—H16B | 109.5 |
| N14—P4—N12 | 105.3 (3) | H16A—C16—H16B | 109.5 |
| O4—P4—N13 | 108.0 (2) | N10—C16—H16C | 109.5 |
| N14—P4—N13 | 102.2 (3) | H16A—C16—H16C | 109.5 |
| N12—P4—N13 | 114.8 (3) | H16B—C16—H16C | 109.5 |
| P1—O1—Sm1 | 163.2 (2) | N11—C17—H17A | 109.5 |
| P2—O2—Sm1 | 167.6 (2) | N11—C17—H17B | 109.5 |
| P3—O3—Sm1 | 167.8 (2) | H17A—C17—H17B | 109.5 |
| P4—O4—Sm1 | 158.3 (2) | N11—C17—H17C | 109.5 |
| N1—O5—Sm1 | 96.2 (3) | H17A—C17—H17C | 109.5 |
| N1—O6—Sm1 | 96.4 (3) | H17B—C17—H17C | 109.5 |
| N2—O8—Sm1 | 96.0 (3) | N11—C18—H18A | 109.5 |
| N2—O9—Sm1 | 96.9 (3) | N11—C18—H18B | 109.5 |
| O7—N1—O6 | 121.9 (5) | H18A—C18—H18B | 109.5 |
| O7—N1—O5 | 122.1 (5) | N11—C18—H18C | 109.5 |
| O6—N1—O5 | 116.1 (4) | H18A—C18—H18C | 109.5 |
| O7—N1—Sm1 | 171.9 (4) | H18B—C18—H18C | 109.5 |
| O6—N1—Sm1 | 58.4 (2) | N12—C19—H19A | 109.5 |
| O5—N1—Sm1 | 58.4 (2) | N12—C19—H19B | 109.5 |
| O10—N2—O9 | 121.3 (5) | H19A—C19—H19B | 109.5 |
| O10—N2—O8 | 122.3 (5) | N12—C19—H19C | 109.5 |
| O9—N2—O8 | 116.3 (4) | H19A—C19—H19C | 109.5 |
| O10—N2—Sm1 | 174.3 (4) | H19B—C19—H19C | 109.5 |
| O9—N2—Sm1 | 57.9 (2) | N12—C20—H20A | 109.5 |
| O8—N2—Sm1 | 58.7 (2) | N12—C20—H20B | 109.5 |
| C2—N3—C1 | 114.1 (5) | H20A—C20—H20B | 109.5 |
| C2—N3—P1 | 120.9 (4) | N12—C20—H20C | 109.5 |
| C1—N3—P1 | 120.6 (4) | H20A—C20—H20C | 109.5 |
| C3—N4—C4 | 107.7 (7) | H20B—C20—H20C | 109.5 |
| C3—N4—P1 | 125.6 (5) | N13—C21—H21A | 109.5 |
| C4—N4—P1 | 121.5 (5) | N13—C21—H21B | 109.5 |
| C5—N5—C6 | 115.8 (6) | H21A—C21—H21B | 109.5 |
| C5—N5—P1 | 121.6 (5) | N13—C21—H21C | 109.5 |
| C6—N5—P1 | 120.3 (5) | H21A—C21—H21C | 109.5 |
| C8—N6—C7 | 114.5 (4) | H21B—C21—H21C | 109.5 |
| C8—N6—P2 | 119.8 (3) | N13—C22—H22A | 109.5 |
| C7—N6—P2 | 122.6 (4) | N13—C22—H22B | 109.5 |
| C9—N7—C10 | 114.7 (5) | H22A—C22—H22B | 109.5 |
| C9—N7—P2 | 125.0 (4) | N13—C22—H22C | 109.5 |
| C10—N7—P2 | 119.0 (4) | H22A—C22—H22C | 109.5 |
| C11—N8—C12 | 114.7 (6) | H22B—C22—H22C | 109.5 |
| C11—N8—P2 | 120.9 (5) | N14—C23—H23A | 109.5 |
| C12—N8—P2 | 123.8 (5) | N14—C23—H23B | 109.5 |
| C13—N9—C14 | 112.7 (8) | H23A—C23—H23B | 109.5 |
| C13—N9—P3 | 123.3 (5) | N14—C23—H23C | 109.5 |
| C14—N9—P3 | 123.4 (7) | H23A—C23—H23C | 109.5 |
| C15—N10—C16 | 115.5 (5) | H23B—C23—H23C | 109.5 |
| C15—N10—P3 | 119.7 (5) | N14—C24—H24A | 109.5 |
| C16—N10—P3 | 123.4 (5) | N14—C24—H24B | 109.5 |
| C17—N11—C18 | 121.9 (9) | H24A—C24—H24B | 109.5 |
| C17—N11—P3 | 119.2 (6) | N14—C24—H24C | 109.5 |
| C18—N11—P3 | 118.8 (8) | H24A—C24—H24C | 109.5 |
| C19—N12—C20 | 113.5 (5) | H24B—C24—H24C | 109.5 |
| C19—N12—P4 | 121.5 (4) | S3—W1—S4 | 110.05 (5) |
| C20—N12—P4 | 122.1 (4) | S3—W1—S2 | 108.01 (5) |
| C21—N13—C22 | 112.5 (6) | S4—W1—S2 | 108.55 (5) |
| C21—N13—P4 | 118.9 (4) | S3—W1—S1 | 108.19 (6) |
| C22—N13—P4 | 120.2 (5) | S4—W1—S1 | 108.69 (6) |
| C23—N14—C24 | 113.4 (7) | S2—W1—S1 | 113.33 (5) |
| C23—N14—P4 | 123.4 (5) | S3—W1—Ag1 | 125.32 (4) |
| C24—N14—P4 | 119.8 (5) | S4—W1—Ag1 | 124.62 (4) |
| N3—C1—H1A | 109.5 | S2—W1—Ag1 | 57.73 (4) |
| N3—C1—H1B | 109.5 | S1—W1—Ag1 | 55.61 (3) |
| H1A—C1—H1B | 109.5 | S3—W1—Ag1i | 58.81 (4) |
| N3—C1—H1C | 109.5 | S4—W1—Ag1i | 58.66 (4) |
| H1A—C1—H1C | 109.5 | S2—W1—Ag1i | 148.29 (4) |
| H1B—C1—H1C | 109.5 | S1—W1—Ag1i | 98.38 (3) |
| N3—C2—H2A | 109.5 | Ag1—W1—Ag1i | 153.978 (9) |
| N3—C2—H2B | 109.5 | S1—Ag1—S2 | 93.54 (4) |
| H2A—C2—H2B | 109.5 | S1—Ag1—S4ii | 120.91 (5) |
| N3—C2—H2C | 109.5 | S2—Ag1—S4ii | 120.21 (5) |
| H2A—C2—H2C | 109.5 | S1—Ag1—S3ii | 120.75 (5) |
| H2B—C2—H2C | 109.5 | S2—Ag1—S3ii | 117.31 (5) |
| N4—C3—H3A | 109.5 | S4ii—Ag1—S3ii | 86.93 (5) |
| N4—C3—H3B | 109.5 | S1—Ag1—W1 | 47.06 (3) |
| H3A—C3—H3B | 109.5 | S2—Ag1—W1 | 46.48 (3) |
| N4—C3—H3C | 109.5 | S4ii—Ag1—W1 | 137.29 (4) |
| H3A—C3—H3C | 109.5 | S3ii—Ag1—W1 | 135.70 (4) |
| H3B—C3—H3C | 109.5 | S1—Ag1—W1ii | 151.26 (4) |
| N4—C4—H4A | 109.5 | S2—Ag1—W1ii | 115.17 (3) |
| N4—C4—H4B | 109.5 | S4ii—Ag1—W1ii | 45.97 (3) |
| H4A—C4—H4B | 109.5 | S3ii—Ag1—W1ii | 45.74 (3) |
| N4—C4—H4C | 109.5 | W1—Ag1—W1ii | 161.657 (17) |
| H4A—C4—H4C | 109.5 | W1—S1—Ag1 | 77.33 (4) |
| H4B—C4—H4C | 109.5 | W1—S2—Ag1 | 75.78 (4) |
| N5—C5—H5A | 109.5 | W1—S3—Ag1i | 75.44 (4) |
| N5—C5—H5B | 109.5 | W1—S4—Ag1i | 75.37 (4) |
| H5A—C5—H5B | 109.5 |