| Literature DB >> 22719381 |
Abstract
In the title compound, {[Tb(NO(3))(2)(C(6)H(18)N(3)OP)(4)][AgWS(4)]}(n), the polymeric anionic chain {[AgWS(4)](-)}(n) extends along [001]. The Tb(III) atom in the cation is coordinated by eight O atoms from two nitrate and four hexamethylphosphate ligands in a distorted square-anti-prismatic geometry. Together with the two nitrate ligands, the cation is univalent, which leads to the anionic chain having a [WS(4)Ag] repeat unit. The polymeric anionic chain has a distorted linear configuration with W-Ag-W and Ag-W-Ag angles of 161.49 (2) and 153.743 (13) °, respectively. The title complex is isotypic with the Y, Yb, Eu, Nd, La, Dy, Sm and Lu analogues.Entities:
Year: 2012 PMID: 22719381 PMCID: PMC3379183 DOI: 10.1107/S1600536812023823
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Tb(NO3)2(C6H18N3OP)4][AgWS4] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 19930 reflections |
| θ = 2.6–29.1° | |
| µ = 4.17 mm−1 | |
| β = 90.89 (3)° | Block, orange |
| 0.23 × 0.17 × 0.13 mm | |
| Rigaku Saturn724+ diffractometer | 9675 independent reflections |
| Radiation source: fine-focus sealed tube | 8650 reflections with |
| Graphite monochromator | |
| dtprofit.ref scans | θmax = 25.4°, θmin = 3.0° |
| Absorption correction: multi-scan ( | |
| 24824 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 | |
| 9675 reflections | (Δ/σ)max = 0.001 |
| 532 parameters | Δρmax = 0.91 e Å−3 |
| 0 restraints | Δρmin = −1.10 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 |
| Tb1 | 0.26214 (2) | 0.082647 (11) | 0.67164 (3) | 0.02568 (10) | |
| P1 | 0.30295 (14) | −0.03046 (7) | 0.80226 (19) | 0.0357 (5) | |
| P2 | 0.04075 (13) | 0.09595 (7) | 0.7685 (2) | 0.0347 (5) | |
| P3 | 0.20427 (17) | 0.14674 (7) | 0.4015 (2) | 0.0467 (6) | |
| P4 | 0.47851 (13) | 0.13354 (7) | 0.67633 (18) | 0.0322 (5) | |
| O1 | 0.2932 (3) | 0.01770 (15) | 0.7722 (4) | 0.0345 (12) | |
| O2 | 0.1237 (3) | 0.08045 (17) | 0.7198 (5) | 0.0376 (13) | |
| O3 | 0.2270 (3) | 0.12714 (17) | 0.5169 (4) | 0.0363 (13) | |
| O4 | 0.3977 (3) | 0.10718 (16) | 0.6762 (4) | 0.0316 (12) | |
| O5 | 0.1997 (3) | 0.02638 (17) | 0.5320 (5) | 0.0373 (13) | |
| O6 | 0.3321 (3) | 0.04051 (17) | 0.5097 (5) | 0.0380 (13) | |
| O7 | 0.2641 (4) | 0.0011 (2) | 0.3781 (6) | 0.0614 (18) | |
| O8 | 0.2481 (3) | 0.15874 (16) | 0.7626 (5) | 0.0395 (13) | |
| O9 | 0.2760 (4) | 0.10391 (17) | 0.8808 (5) | 0.0421 (14) | |
| O10 | 0.2749 (5) | 0.1725 (2) | 0.9471 (6) | 0.074 (2) | |
| N1 | 0.2645 (5) | 0.0220 (2) | 0.4699 (7) | 0.0428 (17) | |
| N2 | 0.2661 (4) | 0.1459 (2) | 0.8671 (7) | 0.0429 (17) | |
| N3 | 0.2809 (5) | −0.0366 (2) | 0.9424 (6) | 0.0436 (18) | |
| N4 | 0.3961 (5) | −0.0479 (3) | 0.7640 (7) | 0.058 (2) | |
| N5 | 0.2388 (5) | −0.0661 (2) | 0.7356 (7) | 0.055 (2) | |
| N6 | −0.0346 (4) | 0.0705 (3) | 0.6967 (7) | 0.052 (2) | |
| N7 | 0.0154 (4) | 0.1487 (2) | 0.7621 (7) | 0.053 (2) | |
| N8 | 0.0431 (5) | 0.0858 (3) | 0.9111 (6) | 0.054 (2) | |
| N9 | 0.2574 (8) | 0.1240 (3) | 0.2998 (8) | 0.086 (3) | |
| N10 | 0.1026 (6) | 0.1383 (3) | 0.3757 (9) | 0.087 (3) | |
| N11 | 0.2229 (6) | 0.2000 (2) | 0.4035 (7) | 0.062 (2) | |
| N12 | 0.5566 (4) | 0.0986 (2) | 0.6501 (6) | 0.0349 (15) | |
| N13 | 0.4765 (4) | 0.1729 (2) | 0.5769 (7) | 0.0485 (19) | |
| N14 | 0.4951 (4) | 0.1578 (3) | 0.8017 (6) | 0.0494 (19) | |
| C1 | 0.3023 (7) | −0.0015 (3) | 1.0253 (8) | 0.065 (3) | |
| H1A | 0.2849 | −0.0104 | 1.1025 | 0.098* | |
| H1B | 0.2738 | 0.0258 | 1.0031 | 0.098* | |
| H1C | 0.3624 | 0.0033 | 1.0258 | 0.098* | |
| C2 | 0.2764 (7) | −0.0821 (3) | 0.9968 (8) | 0.063 (3) | |
| H2A | 0.2632 | −0.0792 | 1.0786 | 0.095* | |
| H2B | 0.3300 | −0.0970 | 0.9892 | 0.095* | |
| H2C | 0.2331 | −0.0995 | 0.9577 | 0.095* | |
| C3 | 0.4656 (6) | −0.0162 (4) | 0.7524 (10) | 0.070 (3) | |
| H3A | 0.5159 | −0.0322 | 0.7307 | 0.105* | |
| H3B | 0.4753 | −0.0011 | 0.8260 | 0.105* | |
| H3C | 0.4516 | 0.0056 | 0.6927 | 0.105* | |
| C4 | 0.4193 (8) | −0.0958 (4) | 0.7809 (10) | 0.094 (4) | |
| H4A | 0.4765 | −0.1005 | 0.7560 | 0.141* | |
| H4B | 0.3817 | −0.1145 | 0.7351 | 0.141* | |
| H4C | 0.4149 | −0.1035 | 0.8626 | 0.141* | |
| C5 | 0.2474 (9) | −0.0815 (4) | 0.6174 (10) | 0.096 (4) | |
| H5A | 0.2017 | −0.1017 | 0.5980 | 0.144* | |
| H5B | 0.3004 | −0.0969 | 0.6099 | 0.144* | |
| H5C | 0.2458 | −0.0561 | 0.5650 | 0.144* | |
| C6 | 0.1503 (7) | −0.0693 (4) | 0.7687 (12) | 0.101 (4) | |
| H6A | 0.1222 | −0.0914 | 0.7204 | 0.152* | |
| H6B | 0.1234 | −0.0405 | 0.7578 | 0.152* | |
| H6C | 0.1470 | −0.0781 | 0.8498 | 0.152* | |
| C7 | −0.0210 (6) | 0.0277 (3) | 0.6392 (10) | 0.071 (3) | |
| H7A | −0.0727 | 0.0180 | 0.6016 | 0.107* | |
| H7B | −0.0034 | 0.0057 | 0.6965 | 0.107* | |
| H7C | 0.0222 | 0.0310 | 0.5813 | 0.107* | |
| C8 | −0.1236 (6) | 0.0803 (4) | 0.7160 (11) | 0.096 (5) | |
| H8A | −0.1579 | 0.0617 | 0.6653 | 0.144* | |
| H8B | −0.1345 | 0.1114 | 0.6989 | 0.144* | |
| H8C | −0.1369 | 0.0742 | 0.7965 | 0.144* | |
| C9 | −0.0126 (8) | 0.1685 (4) | 0.6521 (10) | 0.096 (5) | |
| H9A | −0.0247 | 0.1999 | 0.6638 | 0.144* | |
| H9B | −0.0629 | 0.1534 | 0.6245 | 0.144* | |
| H9C | 0.0311 | 0.1654 | 0.5949 | 0.144* | |
| C10 | 0.0472 (7) | 0.1820 (3) | 0.8464 (12) | 0.096 (5) | |
| H10A | 0.0247 | 0.2111 | 0.8266 | 0.143* | |
| H10B | 0.1079 | 0.1829 | 0.8440 | 0.143* | |
| H10C | 0.0298 | 0.1738 | 0.9241 | 0.143* | |
| C11 | 0.0911 (7) | 0.0476 (4) | 0.9566 (9) | 0.070 (3) | |
| H11A | 0.0859 | 0.0463 | 1.0406 | 0.105* | |
| H11B | 0.1497 | 0.0510 | 0.9370 | 0.105* | |
| H11C | 0.0695 | 0.0202 | 0.9224 | 0.105* | |
| C12 | −0.0310 (7) | 0.0962 (5) | 0.9829 (10) | 0.098 (5) | |
| H12A | −0.0193 | 0.0881 | 1.0632 | 0.147* | |
| H12B | −0.0790 | 0.0795 | 0.9541 | 0.147* | |
| H12C | −0.0429 | 0.1279 | 0.9781 | 0.147* | |
| C13 | 0.2146 (12) | 0.1066 (6) | 0.1889 (10) | 0.156 (8) | |
| H13A | 0.2564 | 0.0943 | 0.1377 | 0.234* | |
| H13B | 0.1856 | 0.1310 | 0.1498 | 0.234* | |
| H13C | 0.1745 | 0.0836 | 0.2088 | 0.234* | |
| C14 | 0.3498 (9) | 0.1215 (4) | 0.3088 (11) | 0.100 (5) | |
| H14A | 0.3714 | 0.1071 | 0.2399 | 0.150* | |
| H14B | 0.3658 | 0.1044 | 0.3773 | 0.150* | |
| H14C | 0.3727 | 0.1514 | 0.3150 | 0.150* | |
| C15 | 0.0467 (9) | 0.1716 (5) | 0.3159 (12) | 0.128 (6) | |
| H15A | −0.0095 | 0.1595 | 0.3088 | 0.192* | |
| H15B | 0.0680 | 0.1779 | 0.2389 | 0.192* | |
| H15C | 0.0455 | 0.1989 | 0.3610 | 0.192* | |
| C16 | 0.0639 (8) | 0.0954 (4) | 0.3877 (12) | 0.101 (5) | |
| H16A | 0.0049 | 0.0976 | 0.3672 | 0.152* | |
| H16B | 0.0700 | 0.0853 | 0.4677 | 0.152* | |
| H16C | 0.0908 | 0.0742 | 0.3364 | 0.152* | |
| C17 | 0.1951 (7) | 0.2273 (3) | 0.5032 (8) | 0.059 (3) | |
| H17A | 0.2106 | 0.2582 | 0.4908 | 0.089* | |
| H17B | 0.2218 | 0.2165 | 0.5743 | 0.089* | |
| H17C | 0.1347 | 0.2250 | 0.5100 | 0.089* | |
| C18 | 0.2483 (10) | 0.2257 (4) | 0.2962 (10) | 0.113 (6) | |
| H18A | 0.2559 | 0.2569 | 0.3161 | 0.169* | |
| H18B | 0.2048 | 0.2230 | 0.2366 | 0.169* | |
| H18C | 0.3004 | 0.2138 | 0.2670 | 0.169* | |
| C19 | 0.6443 (5) | 0.1082 (3) | 0.6860 (8) | 0.051 (2) | |
| H19A | 0.6801 | 0.0837 | 0.6622 | 0.077* | |
| H19B | 0.6476 | 0.1114 | 0.7699 | 0.077* | |
| H19C | 0.6627 | 0.1356 | 0.6494 | 0.077* | |
| C20 | 0.5459 (6) | 0.0651 (3) | 0.5564 (8) | 0.050 (2) | |
| H20A | 0.5965 | 0.0472 | 0.5512 | 0.075* | |
| H20B | 0.5356 | 0.0801 | 0.4828 | 0.075* | |
| H20C | 0.4988 | 0.0459 | 0.5738 | 0.075* | |
| C21 | 0.5452 (6) | 0.1831 (3) | 0.4980 (9) | 0.063 (3) | |
| H21A | 0.5292 | 0.2079 | 0.4480 | 0.095* | |
| H21B | 0.5571 | 0.1572 | 0.4507 | 0.095* | |
| H21C | 0.5949 | 0.1912 | 0.5432 | 0.095* | |
| C22 | 0.4103 (7) | 0.2070 (3) | 0.5774 (10) | 0.070 (3) | |
| H22A | 0.4185 | 0.2276 | 0.5134 | 0.105* | |
| H22B | 0.4126 | 0.2232 | 0.6505 | 0.105* | |
| H22C | 0.3560 | 0.1927 | 0.5686 | 0.105* | |
| C23 | 0.5369 (7) | 0.2021 (4) | 0.8159 (10) | 0.080 (4) | |
| H23A | 0.5400 | 0.2098 | 0.8979 | 0.120* | |
| H23B | 0.5048 | 0.2246 | 0.7742 | 0.120* | |
| H23C | 0.5931 | 0.2007 | 0.7850 | 0.120* | |
| C24 | 0.4828 (7) | 0.1333 (4) | 0.9095 (8) | 0.083 (4) | |
| H24A | 0.4952 | 0.1526 | 0.9753 | 0.124* | |
| H24B | 0.5199 | 0.1076 | 0.9119 | 0.124* | |
| H24C | 0.4250 | 0.1233 | 0.9131 | 0.124* | |
| W1 | 0.784283 (19) | 0.272296 (9) | 0.52525 (2) | 0.02401 (9) | |
| Ag1 | 0.78311 (4) | 0.23447 (2) | 0.28548 (5) | 0.04097 (17) | |
| S1 | 0.78623 (13) | 0.31531 (6) | 0.36704 (16) | 0.0341 (5) | |
| S2 | 0.78394 (15) | 0.19939 (6) | 0.48471 (17) | 0.0389 (5) | |
| S3 | 0.66994 (13) | 0.28840 (7) | 0.62533 (18) | 0.0398 (5) | |
| S4 | 0.89820 (13) | 0.28726 (8) | 0.63134 (18) | 0.0407 (5) |
| Tb1 | 0.02178 (19) | 0.01952 (17) | 0.0357 (2) | 0.00038 (14) | 0.00070 (15) | 0.00066 (15) |
| P1 | 0.0397 (13) | 0.0254 (10) | 0.0422 (12) | 0.0059 (9) | 0.0092 (10) | 0.0066 (9) |
| P2 | 0.0227 (11) | 0.0330 (11) | 0.0485 (13) | −0.0005 (8) | 0.0032 (9) | −0.0085 (10) |
| P3 | 0.0647 (17) | 0.0343 (12) | 0.0405 (13) | 0.0108 (11) | −0.0197 (12) | 0.0002 (10) |
| P4 | 0.0239 (11) | 0.0362 (11) | 0.0363 (11) | −0.0060 (8) | −0.0007 (9) | −0.0045 (9) |
| O1 | 0.038 (3) | 0.023 (3) | 0.042 (3) | 0.000 (2) | 0.000 (2) | 0.006 (2) |
| O2 | 0.023 (3) | 0.035 (3) | 0.055 (4) | 0.001 (2) | 0.007 (3) | −0.004 (3) |
| O3 | 0.037 (3) | 0.034 (3) | 0.038 (3) | 0.003 (2) | −0.010 (2) | 0.010 (2) |
| O4 | 0.019 (3) | 0.038 (3) | 0.038 (3) | −0.004 (2) | 0.001 (2) | 0.003 (2) |
| O5 | 0.025 (3) | 0.035 (3) | 0.052 (3) | −0.005 (2) | −0.008 (3) | −0.002 (3) |
| O6 | 0.029 (3) | 0.037 (3) | 0.048 (3) | −0.001 (2) | −0.001 (3) | −0.006 (3) |
| O7 | 0.064 (5) | 0.067 (4) | 0.054 (4) | 0.008 (3) | −0.006 (3) | −0.030 (4) |
| O8 | 0.045 (4) | 0.024 (3) | 0.049 (4) | 0.005 (2) | −0.006 (3) | −0.002 (3) |
| O9 | 0.058 (4) | 0.028 (3) | 0.041 (3) | 0.002 (3) | 0.006 (3) | 0.004 (3) |
| O10 | 0.112 (6) | 0.052 (4) | 0.057 (4) | 0.025 (4) | −0.018 (4) | −0.030 (4) |
| N1 | 0.039 (5) | 0.036 (4) | 0.053 (5) | 0.006 (3) | 0.002 (4) | 0.001 (4) |
| N2 | 0.038 (4) | 0.038 (4) | 0.053 (5) | 0.004 (3) | 0.000 (3) | −0.008 (4) |
| N3 | 0.058 (5) | 0.034 (4) | 0.040 (4) | 0.009 (3) | 0.013 (3) | 0.006 (3) |
| N4 | 0.049 (5) | 0.051 (5) | 0.075 (6) | 0.020 (4) | 0.022 (4) | 0.025 (4) |
| N5 | 0.079 (6) | 0.032 (4) | 0.053 (5) | −0.014 (4) | 0.016 (4) | −0.011 (4) |
| N6 | 0.026 (4) | 0.064 (5) | 0.065 (5) | 0.000 (3) | 0.003 (4) | −0.037 (4) |
| N7 | 0.036 (4) | 0.039 (4) | 0.083 (6) | 0.004 (3) | 0.006 (4) | −0.010 (4) |
| N8 | 0.040 (5) | 0.073 (5) | 0.049 (5) | 0.010 (4) | 0.006 (4) | −0.006 (4) |
| N9 | 0.140 (10) | 0.065 (6) | 0.054 (6) | 0.028 (6) | −0.001 (6) | −0.009 (5) |
| N10 | 0.091 (7) | 0.059 (6) | 0.108 (8) | 0.006 (5) | −0.074 (6) | 0.005 (5) |
| N11 | 0.106 (7) | 0.037 (4) | 0.043 (4) | 0.008 (4) | −0.003 (4) | 0.010 (4) |
| N12 | 0.020 (3) | 0.045 (4) | 0.040 (4) | −0.001 (3) | 0.000 (3) | −0.009 (3) |
| N13 | 0.038 (4) | 0.039 (4) | 0.069 (5) | −0.008 (3) | 0.008 (4) | 0.004 (4) |
| N14 | 0.034 (4) | 0.067 (5) | 0.047 (4) | −0.001 (4) | −0.006 (3) | −0.025 (4) |
| C1 | 0.082 (8) | 0.062 (7) | 0.051 (6) | 0.006 (6) | 0.004 (5) | 0.004 (5) |
| C2 | 0.078 (8) | 0.053 (6) | 0.059 (6) | 0.012 (5) | 0.024 (6) | 0.026 (5) |
| C3 | 0.043 (6) | 0.077 (7) | 0.091 (8) | 0.004 (5) | −0.008 (6) | −0.015 (6) |
| C4 | 0.123 (11) | 0.070 (8) | 0.090 (9) | 0.055 (7) | 0.043 (8) | 0.025 (7) |
| C5 | 0.129 (12) | 0.071 (8) | 0.088 (9) | −0.032 (8) | 0.013 (8) | −0.030 (7) |
| C6 | 0.064 (9) | 0.109 (11) | 0.130 (12) | −0.021 (8) | 0.001 (8) | −0.034 (9) |
| C7 | 0.038 (6) | 0.062 (6) | 0.114 (9) | −0.002 (5) | 0.007 (6) | −0.033 (7) |
| C8 | 0.033 (6) | 0.126 (11) | 0.130 (11) | 0.005 (6) | 0.004 (6) | −0.083 (9) |
| C9 | 0.108 (11) | 0.087 (9) | 0.095 (9) | 0.050 (8) | 0.042 (8) | 0.037 (8) |
| C10 | 0.057 (7) | 0.053 (6) | 0.178 (14) | −0.009 (5) | 0.028 (8) | −0.056 (8) |
| C11 | 0.065 (8) | 0.075 (7) | 0.071 (7) | 0.007 (6) | 0.009 (6) | 0.011 (6) |
| C12 | 0.079 (9) | 0.152 (13) | 0.064 (8) | 0.045 (9) | 0.025 (7) | −0.010 (8) |
| C13 | 0.28 (2) | 0.146 (15) | 0.044 (8) | −0.048 (15) | 0.008 (11) | −0.041 (9) |
| C14 | 0.112 (12) | 0.101 (10) | 0.089 (9) | 0.041 (9) | 0.049 (8) | 0.012 (8) |
| C15 | 0.137 (13) | 0.119 (12) | 0.126 (12) | 0.067 (10) | −0.081 (10) | −0.007 (10) |
| C16 | 0.076 (9) | 0.076 (8) | 0.150 (13) | −0.006 (7) | −0.060 (9) | −0.017 (9) |
| C17 | 0.094 (8) | 0.031 (5) | 0.052 (6) | 0.001 (5) | 0.009 (5) | −0.012 (4) |
| C18 | 0.212 (17) | 0.064 (8) | 0.063 (8) | 0.033 (9) | 0.040 (9) | 0.035 (7) |
| C19 | 0.035 (5) | 0.067 (6) | 0.052 (6) | 0.006 (4) | 0.000 (4) | −0.011 (5) |
| C20 | 0.042 (6) | 0.054 (6) | 0.054 (6) | 0.002 (4) | 0.000 (4) | −0.009 (5) |
| C21 | 0.062 (7) | 0.054 (6) | 0.075 (7) | −0.022 (5) | 0.020 (6) | 0.007 (5) |
| C22 | 0.064 (7) | 0.046 (6) | 0.100 (9) | 0.007 (5) | 0.008 (6) | 0.023 (6) |
| C23 | 0.068 (8) | 0.072 (7) | 0.100 (9) | 0.001 (6) | −0.013 (6) | −0.055 (7) |
| C24 | 0.059 (7) | 0.148 (12) | 0.041 (6) | 0.008 (7) | −0.007 (5) | −0.008 (7) |
| W1 | 0.02862 (17) | 0.02345 (15) | 0.01991 (15) | −0.00267 (12) | −0.00162 (12) | 0.00125 (12) |
| Ag1 | 0.0627 (5) | 0.0387 (3) | 0.0215 (3) | −0.0001 (3) | −0.0007 (3) | −0.0019 (3) |
| S1 | 0.0509 (13) | 0.0252 (9) | 0.0263 (10) | −0.0008 (9) | 0.0025 (9) | 0.0069 (8) |
| S2 | 0.0616 (15) | 0.0244 (10) | 0.0306 (10) | −0.0056 (9) | −0.0009 (10) | 0.0023 (9) |
| S3 | 0.0324 (12) | 0.0542 (13) | 0.0328 (11) | 0.0061 (10) | 0.0027 (9) | 0.0027 (10) |
| S4 | 0.0352 (12) | 0.0539 (13) | 0.0329 (11) | −0.0134 (10) | −0.0067 (9) | 0.0044 (10) |
| Tb1—O4 | 2.260 (5) | C6—H6A | 0.9600 |
| Tb1—O3 | 2.261 (5) | C6—H6B | 0.9600 |
| Tb1—O2 | 2.262 (5) | C6—H6C | 0.9600 |
| Tb1—O1 | 2.289 (5) | C7—H7A | 0.9600 |
| Tb1—O9 | 2.467 (5) | C7—H7B | 0.9600 |
| Tb1—O8 | 2.493 (5) | C7—H7C | 0.9600 |
| Tb1—O5 | 2.495 (5) | C8—H8A | 0.9600 |
| Tb1—O6 | 2.497 (5) | C8—H8B | 0.9600 |
| Tb1—N2 | 2.908 (7) | C8—H8C | 0.9600 |
| Tb1—N1 | 2.915 (8) | C9—H9A | 0.9600 |
| P1—O1 | 1.476 (5) | C9—H9B | 0.9600 |
| P1—N4 | 1.625 (7) | C9—H9C | 0.9600 |
| P1—N5 | 1.642 (8) | C10—H10A | 0.9600 |
| P1—N3 | 1.646 (7) | C10—H10B | 0.9600 |
| P2—O2 | 1.502 (5) | C10—H10C | 0.9600 |
| P2—N7 | 1.616 (7) | C11—H11A | 0.9600 |
| P2—N6 | 1.619 (7) | C11—H11B | 0.9600 |
| P2—N8 | 1.649 (8) | C11—H11C | 0.9600 |
| P3—O3 | 1.474 (5) | C12—H12A | 0.9600 |
| P3—N9 | 1.589 (10) | C12—H12B | 0.9600 |
| P3—N11 | 1.605 (8) | C12—H12C | 0.9600 |
| P3—N10 | 1.646 (9) | C13—H13A | 0.9600 |
| P4—O4 | 1.496 (5) | C13—H13B | 0.9600 |
| P4—N14 | 1.614 (7) | C13—H13C | 0.9600 |
| P4—N13 | 1.625 (7) | C14—H14A | 0.9600 |
| P4—N12 | 1.641 (6) | C14—H14B | 0.9600 |
| O5—N1 | 1.258 (8) | C14—H14C | 0.9600 |
| O6—N1 | 1.277 (8) | C15—H15A | 0.9600 |
| O7—N1 | 1.213 (8) | C15—H15B | 0.9600 |
| O8—N2 | 1.275 (8) | C15—H15C | 0.9600 |
| O9—N2 | 1.265 (8) | C16—H16A | 0.9600 |
| O10—N2 | 1.211 (8) | C16—H16B | 0.9600 |
| N3—C1 | 1.439 (11) | C16—H16C | 0.9600 |
| N3—C2 | 1.487 (10) | C17—H17A | 0.9600 |
| N4—C3 | 1.452 (12) | C17—H17B | 0.9600 |
| N4—C4 | 1.479 (11) | C17—H17C | 0.9600 |
| N5—C5 | 1.426 (12) | C18—H18A | 0.9600 |
| N5—C6 | 1.454 (13) | C18—H18B | 0.9600 |
| N6—C7 | 1.444 (11) | C18—H18C | 0.9600 |
| N6—C8 | 1.454 (11) | C19—H19A | 0.9600 |
| N7—C9 | 1.445 (13) | C19—H19B | 0.9600 |
| N7—C10 | 1.459 (12) | C19—H19C | 0.9600 |
| N8—C11 | 1.453 (11) | C20—H20A | 0.9600 |
| N8—C12 | 1.468 (11) | C20—H20B | 0.9600 |
| N9—C14 | 1.462 (15) | C20—H20C | 0.9600 |
| N9—C13 | 1.512 (15) | C21—H21A | 0.9600 |
| N10—C16 | 1.420 (13) | C21—H21B | 0.9600 |
| N10—C15 | 1.481 (12) | C21—H21C | 0.9600 |
| N11—C17 | 1.467 (11) | C22—H22A | 0.9600 |
| N11—C18 | 1.499 (12) | C22—H22B | 0.9600 |
| N12—C19 | 1.464 (10) | C22—H22C | 0.9600 |
| N12—C20 | 1.466 (10) | C23—H23A | 0.9600 |
| N13—C21 | 1.451 (10) | C23—H23B | 0.9600 |
| N13—C22 | 1.453 (11) | C23—H23C | 0.9600 |
| N14—C24 | 1.440 (12) | C24—H24A | 0.9600 |
| N14—C23 | 1.479 (12) | C24—H24B | 0.9600 |
| C1—H1A | 0.9600 | C24—H24C | 0.9600 |
| C1—H1B | 0.9600 | W1—S4 | 2.195 (2) |
| C1—H1C | 0.9600 | W1—S3 | 2.201 (2) |
| C2—H2A | 0.9600 | W1—S1 | 2.2057 (18) |
| C2—H2B | 0.9600 | W1—S2 | 2.211 (2) |
| C2—H2C | 0.9600 | W1—Ag1 | 2.9476 (8) |
| C3—H3A | 0.9600 | W1—Ag1i | 2.9656 (8) |
| C3—H3B | 0.9600 | Ag1—S2 | 2.492 (2) |
| C3—H3C | 0.9600 | Ag1—S1 | 2.571 (2) |
| C4—H4A | 0.9600 | Ag1—S3ii | 2.620 (2) |
| C4—H4B | 0.9600 | Ag1—S4ii | 2.624 (2) |
| C4—H4C | 0.9600 | Ag1—W1ii | 2.9656 (8) |
| C5—H5A | 0.9600 | S3—Ag1i | 2.620 (2) |
| C5—H5B | 0.9600 | S4—Ag1i | 2.624 (2) |
| C5—H5C | 0.9600 | ||
| O4—Tb1—O3 | 92.90 (18) | N5—C5—H5C | 109.5 |
| O4—Tb1—O2 | 157.15 (18) | H5A—C5—H5C | 109.5 |
| O3—Tb1—O2 | 88.80 (19) | H5B—C5—H5C | 109.5 |
| O4—Tb1—O1 | 93.66 (18) | N5—C6—H6A | 109.5 |
| O3—Tb1—O1 | 158.07 (18) | N5—C6—H6B | 109.5 |
| O2—Tb1—O1 | 93.17 (18) | H6A—C6—H6B | 109.5 |
| O4—Tb1—O9 | 79.95 (18) | N5—C6—H6C | 109.5 |
| O3—Tb1—O9 | 128.16 (18) | H6A—C6—H6C | 109.5 |
| O2—Tb1—O9 | 81.11 (19) | H6B—C6—H6C | 109.5 |
| O1—Tb1—O9 | 73.65 (17) | N6—C7—H7A | 109.5 |
| O4—Tb1—O8 | 77.82 (18) | N6—C7—H7B | 109.5 |
| O3—Tb1—O8 | 76.83 (18) | H7A—C7—H7B | 109.5 |
| O2—Tb1—O8 | 80.41 (18) | N6—C7—H7C | 109.5 |
| O1—Tb1—O8 | 125.03 (18) | H7A—C7—H7C | 109.5 |
| O9—Tb1—O8 | 51.39 (17) | H7B—C7—H7C | 109.5 |
| O4—Tb1—O5 | 126.46 (18) | N6—C8—H8A | 109.5 |
| O3—Tb1—O5 | 78.80 (18) | N6—C8—H8B | 109.5 |
| O2—Tb1—O5 | 76.21 (18) | H8A—C8—H8B | 109.5 |
| O1—Tb1—O5 | 80.48 (18) | N6—C8—H8C | 109.5 |
| O9—Tb1—O5 | 144.35 (18) | H8A—C8—H8C | 109.5 |
| O8—Tb1—O5 | 146.34 (17) | H8B—C8—H8C | 109.5 |
| O4—Tb1—O6 | 75.44 (18) | N7—C9—H9A | 109.5 |
| O3—Tb1—O6 | 79.88 (18) | N7—C9—H9B | 109.5 |
| O2—Tb1—O6 | 127.18 (18) | H9A—C9—H9B | 109.5 |
| O1—Tb1—O6 | 81.57 (18) | N7—C9—H9C | 109.5 |
| O9—Tb1—O6 | 143.62 (18) | H9A—C9—H9C | 109.5 |
| O8—Tb1—O6 | 143.30 (18) | H9B—C9—H9C | 109.5 |
| O5—Tb1—O6 | 51.02 (17) | N7—C10—H10A | 109.5 |
| O4—Tb1—N2 | 76.43 (19) | N7—C10—H10B | 109.5 |
| O3—Tb1—N2 | 102.7 (2) | H10A—C10—H10B | 109.5 |
| O2—Tb1—N2 | 80.97 (19) | N7—C10—H10C | 109.5 |
| O1—Tb1—N2 | 99.18 (19) | H10A—C10—H10C | 109.5 |
| O9—Tb1—N2 | 25.58 (17) | H10B—C10—H10C | 109.5 |
| O8—Tb1—N2 | 25.87 (17) | N8—C11—H11A | 109.5 |
| O5—Tb1—N2 | 157.11 (19) | N8—C11—H11B | 109.5 |
| O6—Tb1—N2 | 151.84 (18) | H11A—C11—H11B | 109.5 |
| O4—Tb1—N1 | 101.13 (19) | N8—C11—H11C | 109.5 |
| O3—Tb1—N1 | 75.76 (19) | H11A—C11—H11C | 109.5 |
| O2—Tb1—N1 | 101.4 (2) | H11B—C11—H11C | 109.5 |
| O1—Tb1—N1 | 82.45 (18) | N8—C12—H12A | 109.5 |
| O9—Tb1—N1 | 156.08 (18) | N8—C12—H12B | 109.5 |
| O8—Tb1—N1 | 152.48 (19) | H12A—C12—H12B | 109.5 |
| O5—Tb1—N1 | 25.40 (17) | N8—C12—H12C | 109.5 |
| O6—Tb1—N1 | 25.83 (17) | H12A—C12—H12C | 109.5 |
| N2—Tb1—N1 | 177.1 (2) | H12B—C12—H12C | 109.5 |
| O1—P1—N4 | 109.7 (3) | N9—C13—H13A | 109.5 |
| O1—P1—N5 | 117.1 (4) | N9—C13—H13B | 109.5 |
| N4—P1—N5 | 103.1 (4) | H13A—C13—H13B | 109.5 |
| O1—P1—N3 | 107.9 (3) | N9—C13—H13C | 109.5 |
| N4—P1—N3 | 115.5 (4) | H13A—C13—H13C | 109.5 |
| N5—P1—N3 | 103.8 (4) | H13B—C13—H13C | 109.5 |
| O2—P2—N7 | 119.8 (3) | N9—C14—H14A | 109.5 |
| O2—P2—N6 | 108.0 (3) | N9—C14—H14B | 109.5 |
| N7—P2—N6 | 104.4 (4) | H14A—C14—H14B | 109.5 |
| O2—P2—N8 | 107.5 (4) | N9—C14—H14C | 109.5 |
| N7—P2—N8 | 102.9 (4) | H14A—C14—H14C | 109.5 |
| N6—P2—N8 | 114.5 (4) | H14B—C14—H14C | 109.5 |
| O3—P3—N9 | 110.9 (4) | N10—C15—H15A | 109.5 |
| O3—P3—N11 | 109.5 (4) | N10—C15—H15B | 109.5 |
| N9—P3—N11 | 109.1 (5) | H15A—C15—H15B | 109.5 |
| O3—P3—N10 | 108.8 (4) | N10—C15—H15C | 109.5 |
| N9—P3—N10 | 109.3 (6) | H15A—C15—H15C | 109.5 |
| N11—P3—N10 | 109.2 (5) | H15B—C15—H15C | 109.5 |
| O4—P4—N14 | 111.1 (3) | N10—C16—H16A | 109.5 |
| O4—P4—N13 | 111.5 (3) | N10—C16—H16B | 109.5 |
| N14—P4—N13 | 107.2 (4) | H16A—C16—H16B | 109.5 |
| O4—P4—N12 | 108.3 (3) | N10—C16—H16C | 109.5 |
| N14—P4—N12 | 109.2 (4) | H16A—C16—H16C | 109.5 |
| N13—P4—N12 | 109.5 (4) | H16B—C16—H16C | 109.5 |
| P1—O1—Tb1 | 161.9 (3) | N11—C17—H17A | 109.5 |
| P2—O2—Tb1 | 158.7 (3) | N11—C17—H17B | 109.5 |
| P3—O3—Tb1 | 167.4 (3) | H17A—C17—H17B | 109.5 |
| P4—O4—Tb1 | 167.2 (3) | N11—C17—H17C | 109.5 |
| N1—O5—Tb1 | 96.3 (4) | H17A—C17—H17C | 109.5 |
| N1—O6—Tb1 | 95.7 (4) | H17B—C17—H17C | 109.5 |
| N2—O8—Tb1 | 95.6 (4) | N11—C18—H18A | 109.5 |
| N2—O9—Tb1 | 97.1 (5) | N11—C18—H18B | 109.5 |
| O7—N1—O5 | 122.8 (7) | H18A—C18—H18B | 109.5 |
| O7—N1—O6 | 121.2 (7) | N11—C18—H18C | 109.5 |
| O5—N1—O6 | 116.0 (7) | H18A—C18—H18C | 109.5 |
| O7—N1—Tb1 | 172.5 (6) | H18B—C18—H18C | 109.5 |
| O5—N1—Tb1 | 58.3 (4) | N12—C19—H19A | 109.5 |
| O6—N1—Tb1 | 58.4 (4) | N12—C19—H19B | 109.5 |
| O10—N2—O9 | 122.4 (8) | H19A—C19—H19B | 109.5 |
| O10—N2—O8 | 121.9 (7) | N12—C19—H19C | 109.5 |
| O9—N2—O8 | 115.7 (7) | H19A—C19—H19C | 109.5 |
| O10—N2—Tb1 | 174.6 (6) | H19B—C19—H19C | 109.5 |
| O9—N2—Tb1 | 57.3 (4) | N12—C20—H20A | 109.5 |
| O8—N2—Tb1 | 58.6 (4) | N12—C20—H20B | 109.5 |
| C1—N3—C2 | 113.3 (7) | H20A—C20—H20B | 109.5 |
| C1—N3—P1 | 120.3 (6) | N12—C20—H20C | 109.5 |
| C2—N3—P1 | 120.9 (6) | H20A—C20—H20C | 109.5 |
| C3—N4—C4 | 116.6 (8) | H20B—C20—H20C | 109.5 |
| C3—N4—P1 | 120.5 (7) | N13—C21—H21A | 109.5 |
| C4—N4—P1 | 119.6 (7) | N13—C21—H21B | 109.5 |
| C5—N5—C6 | 109.2 (9) | H21A—C21—H21B | 109.5 |
| C5—N5—P1 | 125.0 (7) | N13—C21—H21C | 109.5 |
| C6—N5—P1 | 120.7 (7) | H21A—C21—H21C | 109.5 |
| C7—N6—C8 | 113.2 (7) | H21B—C21—H21C | 109.5 |
| C7—N6—P2 | 121.6 (6) | N13—C22—H22A | 109.5 |
| C8—N6—P2 | 122.3 (6) | N13—C22—H22B | 109.5 |
| C9—N7—C10 | 113.0 (9) | H22A—C22—H22B | 109.5 |
| C9—N7—P2 | 120.4 (7) | N13—C22—H22C | 109.5 |
| C10—N7—P2 | 122.8 (7) | H22A—C22—H22C | 109.5 |
| C11—N8—C12 | 112.5 (8) | H22B—C22—H22C | 109.5 |
| C11—N8—P2 | 119.8 (6) | N14—C23—H23A | 109.5 |
| C12—N8—P2 | 120.1 (7) | N14—C23—H23B | 109.5 |
| C14—N9—C13 | 118.3 (11) | H23A—C23—H23B | 109.5 |
| C14—N9—P3 | 120.5 (8) | N14—C23—H23C | 109.5 |
| C13—N9—P3 | 121.1 (11) | H23A—C23—H23C | 109.5 |
| C16—N10—C15 | 112.8 (10) | H23B—C23—H23C | 109.5 |
| C16—N10—P3 | 122.5 (7) | N14—C24—H24A | 109.5 |
| C15—N10—P3 | 123.6 (9) | N14—C24—H24B | 109.5 |
| C17—N11—C18 | 115.8 (7) | H24A—C24—H24B | 109.5 |
| C17—N11—P3 | 119.8 (6) | N14—C24—H24C | 109.5 |
| C18—N11—P3 | 122.8 (7) | H24A—C24—H24C | 109.5 |
| C19—N12—C20 | 115.5 (6) | H24B—C24—H24C | 109.5 |
| C19—N12—P4 | 122.5 (5) | S4—W1—S3 | 110.09 (8) |
| C20—N12—P4 | 118.8 (5) | S4—W1—S1 | 108.03 (8) |
| C21—N13—C22 | 113.7 (8) | S3—W1—S1 | 108.55 (8) |
| C21—N13—P4 | 125.0 (6) | S4—W1—S2 | 108.15 (8) |
| C22—N13—P4 | 120.2 (6) | S3—W1—S2 | 108.70 (8) |
| C24—N14—C23 | 114.9 (8) | S1—W1—S2 | 113.30 (7) |
| C24—N14—P4 | 120.3 (7) | S4—W1—Ag1 | 125.34 (6) |
| C23—N14—P4 | 123.9 (7) | S3—W1—Ag1 | 124.56 (6) |
| N3—C1—H1A | 109.5 | S1—W1—Ag1 | 57.71 (5) |
| N3—C1—H1B | 109.5 | S2—W1—Ag1 | 55.60 (5) |
| H1A—C1—H1B | 109.5 | S4—W1—Ag1i | 58.89 (6) |
| N3—C1—H1C | 109.5 | S3—W1—Ag1i | 58.74 (6) |
| H1A—C1—H1C | 109.5 | S1—W1—Ag1i | 148.54 (5) |
| H1B—C1—H1C | 109.5 | S2—W1—Ag1i | 98.15 (5) |
| N3—C2—H2A | 109.5 | Ag1—W1—Ag1i | 153.743 (13) |
| N3—C2—H2B | 109.5 | S2—Ag1—S1 | 93.53 (6) |
| H2A—C2—H2B | 109.5 | S2—Ag1—S3ii | 121.16 (7) |
| N3—C2—H2C | 109.5 | S1—Ag1—S3ii | 120.07 (7) |
| H2A—C2—H2C | 109.5 | S2—Ag1—S4ii | 120.70 (7) |
| H2B—C2—H2C | 109.5 | S1—Ag1—S4ii | 117.40 (7) |
| N4—C3—H3A | 109.5 | S3ii—Ag1—S4ii | 86.80 (7) |
| N4—C3—H3B | 109.5 | S2—Ag1—W1 | 47.04 (5) |
| H3A—C3—H3B | 109.5 | S1—Ag1—W1 | 46.50 (4) |
| N4—C3—H3C | 109.5 | S3ii—Ag1—W1 | 137.35 (5) |
| H3A—C3—H3C | 109.5 | S4ii—Ag1—W1 | 135.77 (5) |
| H3B—C3—H3C | 109.5 | S2—Ag1—W1ii | 151.45 (5) |
| N4—C4—H4A | 109.5 | S1—Ag1—W1ii | 115.00 (5) |
| N4—C4—H4B | 109.5 | S3ii—Ag1—W1ii | 45.90 (5) |
| H4A—C4—H4B | 109.5 | S4ii—Ag1—W1ii | 45.74 (5) |
| N4—C4—H4C | 109.5 | W1—Ag1—W1ii | 161.49 (2) |
| H4A—C4—H4C | 109.5 | W1—S1—Ag1 | 75.78 (6) |
| H4B—C4—H4C | 109.5 | W1—S2—Ag1 | 77.36 (6) |
| N5—C5—H5A | 109.5 | W1—S3—Ag1i | 75.36 (6) |
| N5—C5—H5B | 109.5 | W1—S4—Ag1i | 75.38 (6) |
| H5A—C5—H5B | 109.5 |