| Literature DB >> 21588119 |
Li-Na Cui, Ke-Yi Hu, Qiong-Hua Jin, Cun-Lin Zhang.
Abstract
In the title complex, [Ag(C(18)H(15)P)(3)(ClO(4))], the silver coord-ination environment is dominated by the distorted P(3)AgO tetra-hedron in which Ag-O = 2.608 (12) Å and the Ag-P bond lengths are 2.5663 (17), 2.5076(16) and 2.5450 (17) Å. The perchlorate O-atoms are disordered over two positions in a 0.584 (14):0.416 (14) ratio.Entities:
Year: 2010 PMID: 21588119 PMCID: PMC3007391 DOI: 10.1107/S1600536810025171
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Ag(C18H15P)3(ClO4)] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 2750 reflections |
| θ = 2.7–19.5° | |
| µ = 0.63 mm−1 | |
| β = 94.132 (2)° | Block, colourless |
| 0.19 × 0.18 × 0.17 mm | |
| Bruker SMART CCD area-detector diffractometer | 8339 independent reflections |
| Radiation source: fine-focus sealed tube | 4010 reflections with |
| graphite | |
| phi and ω scans | θmax = 25.0°, θmin = 1.5° |
| Absorption correction: multi-scan ( | |
| 23792 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 | |
| 8339 reflections | (Δ/σ)max = 0.001 |
| 605 parameters | Δρmax = 0.85 e Å−3 |
| 0 restraints | Δρmin = −1.07 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 |
| Occ. (<1) | |||||
| Ag1 | 0.24335 (3) | 0.81327 (3) | 0.01311 (2) | 0.05196 (17) | |
| P1 | 0.34225 (9) | 0.68176 (12) | 0.00117 (8) | 0.0493 (4) | |
| P2 | 0.17377 (9) | 0.80044 (11) | 0.12190 (8) | 0.0477 (4) | |
| P3 | 0.26351 (10) | 0.98099 (11) | −0.03809 (8) | 0.0519 (5) | |
| Cl1 | 0.09855 (15) | 0.72401 (17) | −0.11116 (12) | 0.0802 (6) | |
| O1 | 0.1224 (7) | 0.8041 (13) | −0.0700 (9) | 0.089 (5) | 0.584 (14) |
| O2 | 0.0255 (6) | 0.7017 (6) | −0.0998 (4) | 0.080 (4) | 0.584 (14) |
| O3 | 0.1416 (7) | 0.6407 (8) | −0.0977 (5) | 0.080 (4) | 0.584 (14) |
| O4 | 0.1075 (10) | 0.7556 (15) | −0.1821 (10) | 0.105 (6) | 0.584 (14) |
| O1' | 0.1765 (8) | 0.7147 (13) | −0.0977 (7) | 0.097 (6) | 0.416 (14) |
| O2' | 0.0779 (9) | 0.6317 (10) | −0.0900 (7) | 0.080 (6) | 0.416 (14) |
| O3' | 0.0800 (10) | 0.8015 (17) | −0.0690 (12) | 0.080 (6) | 0.416 (14) |
| O4' | 0.0664 (14) | 0.728 (2) | −0.1794 (14) | 0.105 (9) | 0.416 (14) |
| C1 | 0.3718 (4) | 0.6630 (5) | −0.0865 (3) | 0.0579 (18) | |
| C2 | 0.3609 (4) | 0.7343 (5) | −0.1358 (4) | 0.084 (2) | |
| H2 | 0.3376 | 0.7916 | −0.1241 | 0.101* | |
| C3 | 0.3840 (5) | 0.7227 (6) | −0.2031 (4) | 0.102 (3) | |
| H3 | 0.3756 | 0.7721 | −0.2360 | 0.123* | |
| C4 | 0.4186 (5) | 0.6403 (6) | −0.2217 (4) | 0.088 (2) | |
| H4 | 0.4355 | 0.6342 | −0.2664 | 0.106* | |
| C5 | 0.4285 (4) | 0.5664 (6) | −0.1743 (4) | 0.095 (3) | |
| H5 | 0.4508 | 0.5088 | −0.1870 | 0.114* | |
| C6 | 0.4050 (4) | 0.5775 (5) | −0.1071 (4) | 0.082 (2) | |
| H6 | 0.4116 | 0.5267 | −0.0751 | 0.099* | |
| C7 | 0.3143 (4) | 0.5609 (5) | 0.0251 (4) | 0.0632 (19) | |
| C8 | 0.2590 (5) | 0.5177 (6) | −0.0159 (4) | 0.096 (3) | |
| H8 | 0.2371 | 0.5520 | −0.0540 | 0.115* | |
| C9 | 0.2338 (5) | 0.4246 (7) | −0.0034 (5) | 0.117 (3) | |
| H9 | 0.1987 | 0.3953 | −0.0346 | 0.141* | |
| C10 | 0.2612 (6) | 0.3772 (7) | 0.0549 (5) | 0.111 (3) | |
| H10 | 0.2400 | 0.3187 | 0.0675 | 0.133* | |
| C11 | 0.3199 (7) | 0.4149 (7) | 0.0955 (5) | 0.127 (4) | |
| H11 | 0.3425 | 0.3790 | 0.1324 | 0.153* | |
| C12 | 0.3457 (5) | 0.5080 (6) | 0.0809 (4) | 0.100 (3) | |
| H12 | 0.3846 | 0.5345 | 0.1092 | 0.120* | |
| C13 | 0.4285 (4) | 0.6985 (5) | 0.0558 (3) | 0.0600 (18) | |
| C14 | 0.4977 (4) | 0.6821 (5) | 0.0321 (4) | 0.083 (2) | |
| H14 | 0.5015 | 0.6629 | −0.0142 | 0.100* | |
| C15 | 0.5622 (4) | 0.6935 (6) | 0.0762 (5) | 0.098 (3) | |
| H15 | 0.6085 | 0.6830 | 0.0594 | 0.117* | |
| C16 | 0.5561 (5) | 0.7207 (5) | 0.1453 (4) | 0.079 (2) | |
| H16 | 0.5985 | 0.7264 | 0.1757 | 0.095* | |
| C17 | 0.4898 (5) | 0.7387 (5) | 0.1686 (4) | 0.081 (2) | |
| H17 | 0.4861 | 0.7583 | 0.2149 | 0.097* | |
| C18 | 0.4253 (4) | 0.7284 (5) | 0.1235 (4) | 0.072 (2) | |
| H18 | 0.3794 | 0.7422 | 0.1403 | 0.086* | |
| C19 | 0.2416 (3) | 0.7986 (5) | 0.1960 (3) | 0.0549 (17) | |
| C20 | 0.2915 (4) | 0.8770 (5) | 0.2022 (3) | 0.069 (2) | |
| H20 | 0.2876 | 0.9272 | 0.1695 | 0.083* | |
| C21 | 0.3461 (4) | 0.8798 (6) | 0.2567 (4) | 0.087 (2) | |
| H21 | 0.3778 | 0.9329 | 0.2618 | 0.105* | |
| C22 | 0.3534 (4) | 0.8046 (7) | 0.3030 (4) | 0.086 (2) | |
| H22 | 0.3909 | 0.8065 | 0.3390 | 0.104* | |
| C23 | 0.3075 (5) | 0.7275 (6) | 0.2978 (4) | 0.087 (2) | |
| H23 | 0.3137 | 0.6770 | 0.3301 | 0.105* | |
| C24 | 0.2503 (4) | 0.7230 (5) | 0.2438 (4) | 0.071 (2) | |
| H24 | 0.2186 | 0.6698 | 0.2402 | 0.085* | |
| C25 | 0.1121 (3) | 0.8980 (4) | 0.1440 (3) | 0.0477 (16) | |
| C26 | 0.0521 (4) | 0.9169 (4) | 0.0966 (3) | 0.0610 (18) | |
| H26 | 0.0459 | 0.8811 | 0.0552 | 0.073* | |
| C27 | 0.0013 (4) | 0.9883 (5) | 0.1101 (4) | 0.070 (2) | |
| H27 | −0.0393 | 0.9993 | 0.0783 | 0.084* | |
| C28 | 0.0105 (4) | 1.0430 (5) | 0.1701 (4) | 0.069 (2) | |
| H28 | −0.0237 | 1.0910 | 0.1791 | 0.083* | |
| C29 | 0.0696 (4) | 1.0266 (5) | 0.2160 (4) | 0.069 (2) | |
| H29 | 0.0767 | 1.0650 | 0.2561 | 0.082* | |
| C30 | 0.1202 (4) | 0.9529 (5) | 0.2045 (3) | 0.0609 (18) | |
| H30 | 0.1594 | 0.9408 | 0.2376 | 0.073* | |
| C31 | 0.1149 (3) | 0.6960 (4) | 0.1318 (3) | 0.0524 (16) | |
| C32 | 0.0666 (4) | 0.6891 (5) | 0.1848 (4) | 0.0699 (19) | |
| H32 | 0.0660 | 0.7379 | 0.2185 | 0.084* | |
| C33 | 0.0191 (4) | 0.6104 (6) | 0.1885 (4) | 0.082 (2) | |
| H33 | −0.0127 | 0.6062 | 0.2246 | 0.098* | |
| C34 | 0.0192 (4) | 0.5392 (6) | 0.1388 (5) | 0.082 (2) | |
| H34 | −0.0135 | 0.4872 | 0.1405 | 0.099* | |
| C35 | 0.0671 (5) | 0.5438 (5) | 0.0865 (4) | 0.088 (2) | |
| H35 | 0.0678 | 0.4944 | 0.0534 | 0.105* | |
| C36 | 0.1148 (4) | 0.6225 (5) | 0.0831 (4) | 0.070 (2) | |
| H36 | 0.1471 | 0.6254 | 0.0474 | 0.083* | |
| C37 | 0.1963 (4) | 1.0789 (4) | −0.0370 (3) | 0.0534 (17) | |
| C38 | 0.1552 (4) | 1.0904 (5) | 0.0203 (4) | 0.0644 (19) | |
| H38 | 0.1614 | 1.0470 | 0.0576 | 0.077* | |
| C39 | 0.1041 (4) | 1.1663 (5) | 0.0236 (4) | 0.070 (2) | |
| H39 | 0.0768 | 1.1730 | 0.0628 | 0.084* | |
| C40 | 0.0943 (4) | 1.2308 (5) | −0.0310 (4) | 0.067 (2) | |
| H40 | 0.0610 | 1.2820 | −0.0286 | 0.080* | |
| C41 | 0.1332 (4) | 1.2192 (5) | −0.0882 (4) | 0.074 (2) | |
| H41 | 0.1254 | 1.2619 | −0.1257 | 0.089* | |
| C42 | 0.1845 (4) | 1.1457 (5) | −0.0922 (3) | 0.0660 (19) | |
| H42 | 0.2114 | 1.1403 | −0.1318 | 0.079* | |
| C43 | 0.3407 (4) | 1.0289 (5) | 0.0146 (3) | 0.0617 (19) | |
| C44 | 0.3482 (5) | 1.1219 (6) | 0.0385 (4) | 0.103 (3) | |
| H44 | 0.3118 | 1.1669 | 0.0242 | 0.123* | |
| C45 | 0.4078 (6) | 1.1526 (7) | 0.0834 (5) | 0.121 (3) | |
| H45 | 0.4110 | 1.2169 | 0.0982 | 0.145* | |
| C46 | 0.4611 (5) | 1.0881 (8) | 0.1054 (4) | 0.109 (3) | |
| H46 | 0.5006 | 1.1077 | 0.1361 | 0.131* | |
| C47 | 0.4567 (5) | 0.9952 (8) | 0.0826 (5) | 0.127 (4) | |
| H47 | 0.4937 | 0.9508 | 0.0964 | 0.152* | |
| C48 | 0.3963 (5) | 0.9671 (6) | 0.0385 (4) | 0.101 (3) | |
| H48 | 0.3933 | 0.9026 | 0.0242 | 0.121* | |
| C49 | 0.2882 (4) | 0.9838 (4) | −0.1286 (3) | 0.0586 (18) | |
| C50 | 0.2438 (4) | 0.9347 (5) | −0.1780 (4) | 0.073 (2) | |
| H50 | 0.2044 | 0.8975 | −0.1641 | 0.088* | |
| C51 | 0.2574 (5) | 0.9402 (6) | −0.2484 (4) | 0.089 (2) | |
| H51 | 0.2264 | 0.9072 | −0.2814 | 0.106* | |
| C52 | 0.3145 (5) | 0.9924 (6) | −0.2702 (4) | 0.091 (3) | |
| H52 | 0.3232 | 0.9946 | −0.3177 | 0.109* | |
| C53 | 0.3594 (4) | 1.0416 (5) | −0.2222 (4) | 0.083 (2) | |
| H53 | 0.3988 | 1.0780 | −0.2368 | 0.099* | |
| C54 | 0.3465 (4) | 1.0378 (5) | −0.1515 (4) | 0.071 (2) | |
| H54 | 0.3774 | 1.0718 | −0.1190 | 0.086* |
| Ag1 | 0.0555 (3) | 0.0565 (3) | 0.0441 (3) | −0.0045 (3) | 0.0050 (2) | −0.0010 (3) |
| P1 | 0.0562 (11) | 0.0492 (10) | 0.0425 (9) | −0.0009 (9) | 0.0046 (8) | −0.0011 (8) |
| P2 | 0.0503 (11) | 0.0525 (11) | 0.0405 (9) | −0.0021 (8) | 0.0053 (8) | −0.0001 (8) |
| P3 | 0.0540 (12) | 0.0500 (11) | 0.0511 (10) | −0.0032 (8) | −0.0011 (9) | 0.0055 (8) |
| Cl1 | 0.0718 (19) | 0.0748 (17) | 0.0907 (17) | 0.0112 (14) | −0.0162 (14) | −0.0081 (13) |
| O1 | 0.066 (10) | 0.110 (9) | 0.087 (7) | −0.031 (11) | −0.029 (9) | −0.029 (6) |
| O2 | 0.072 (8) | 0.075 (7) | 0.091 (7) | 0.011 (5) | −0.016 (5) | −0.008 (5) |
| O3 | 0.072 (9) | 0.075 (8) | 0.091 (7) | 0.011 (7) | −0.016 (6) | −0.008 (5) |
| O4 | 0.126 (16) | 0.123 (13) | 0.058 (8) | 0.007 (10) | −0.042 (11) | −0.014 (7) |
| O1' | 0.072 (11) | 0.097 (14) | 0.116 (11) | 0.001 (9) | −0.028 (8) | −0.033 (9) |
| O2' | 0.072 (13) | 0.075 (11) | 0.091 (10) | 0.011 (9) | −0.016 (9) | −0.008 (7) |
| O3' | 0.072 (13) | 0.075 (12) | 0.091 (10) | 0.011 (12) | −0.016 (12) | −0.008 (8) |
| O4' | 0.13 (2) | 0.123 (18) | 0.058 (11) | 0.007 (14) | −0.042 (15) | −0.014 (10) |
| C1 | 0.072 (5) | 0.058 (5) | 0.045 (4) | 0.008 (4) | 0.011 (3) | −0.002 (3) |
| C2 | 0.114 (7) | 0.081 (6) | 0.060 (5) | 0.024 (5) | 0.021 (5) | −0.005 (4) |
| C3 | 0.151 (9) | 0.099 (7) | 0.060 (5) | 0.025 (6) | 0.026 (5) | 0.016 (5) |
| C4 | 0.120 (7) | 0.093 (6) | 0.056 (5) | 0.020 (5) | 0.036 (5) | 0.001 (5) |
| C5 | 0.122 (8) | 0.100 (7) | 0.066 (5) | 0.036 (5) | 0.033 (5) | −0.007 (5) |
| C6 | 0.105 (7) | 0.082 (6) | 0.062 (5) | 0.025 (5) | 0.020 (5) | 0.003 (4) |
| C7 | 0.084 (6) | 0.053 (5) | 0.053 (4) | 0.006 (4) | 0.010 (4) | −0.004 (4) |
| C8 | 0.099 (7) | 0.072 (6) | 0.113 (7) | −0.011 (5) | −0.020 (6) | 0.009 (5) |
| C9 | 0.130 (9) | 0.082 (8) | 0.139 (9) | −0.028 (6) | 0.002 (7) | −0.006 (6) |
| C10 | 0.148 (10) | 0.078 (7) | 0.111 (8) | −0.039 (7) | 0.037 (7) | 0.001 (6) |
| C11 | 0.195 (12) | 0.096 (8) | 0.090 (7) | −0.023 (7) | 0.006 (7) | 0.009 (6) |
| C12 | 0.150 (9) | 0.072 (6) | 0.075 (6) | −0.030 (6) | −0.009 (6) | 0.003 (5) |
| C13 | 0.057 (5) | 0.067 (5) | 0.055 (4) | 0.010 (4) | 0.002 (4) | 0.001 (4) |
| C14 | 0.075 (6) | 0.111 (6) | 0.062 (5) | 0.012 (5) | −0.004 (4) | −0.016 (5) |
| C15 | 0.059 (6) | 0.133 (7) | 0.100 (7) | 0.012 (5) | 0.000 (5) | −0.006 (6) |
| C16 | 0.066 (6) | 0.095 (6) | 0.074 (6) | 0.002 (4) | −0.019 (5) | 0.003 (4) |
| C17 | 0.072 (6) | 0.101 (6) | 0.068 (5) | 0.002 (5) | −0.009 (5) | −0.006 (4) |
| C18 | 0.068 (6) | 0.083 (5) | 0.064 (5) | 0.005 (4) | 0.000 (4) | −0.014 (4) |
| C19 | 0.055 (5) | 0.066 (5) | 0.044 (4) | 0.003 (4) | 0.008 (3) | −0.001 (3) |
| C20 | 0.065 (5) | 0.082 (5) | 0.058 (5) | −0.006 (4) | −0.004 (4) | −0.001 (4) |
| C21 | 0.077 (6) | 0.109 (7) | 0.074 (6) | −0.010 (5) | −0.011 (5) | −0.016 (5) |
| C22 | 0.074 (6) | 0.120 (8) | 0.062 (5) | 0.014 (6) | −0.013 (4) | −0.005 (5) |
| C23 | 0.093 (7) | 0.102 (7) | 0.066 (5) | 0.013 (5) | −0.004 (5) | 0.005 (5) |
| C24 | 0.068 (5) | 0.083 (6) | 0.062 (5) | 0.010 (4) | 0.000 (4) | 0.001 (4) |
| C25 | 0.052 (5) | 0.045 (4) | 0.046 (4) | −0.004 (3) | 0.007 (3) | 0.002 (3) |
| C26 | 0.065 (5) | 0.058 (5) | 0.059 (4) | 0.001 (4) | 0.000 (4) | −0.006 (3) |
| C27 | 0.064 (5) | 0.069 (5) | 0.077 (5) | 0.001 (4) | 0.002 (4) | 0.003 (4) |
| C28 | 0.073 (6) | 0.059 (5) | 0.078 (5) | 0.007 (4) | 0.022 (4) | 0.000 (4) |
| C29 | 0.084 (6) | 0.063 (5) | 0.060 (5) | 0.004 (4) | 0.013 (4) | −0.008 (4) |
| C30 | 0.068 (5) | 0.062 (5) | 0.053 (4) | 0.005 (4) | 0.007 (4) | 0.002 (4) |
| C31 | 0.054 (4) | 0.052 (4) | 0.051 (4) | 0.003 (3) | 0.003 (3) | 0.004 (3) |
| C32 | 0.078 (5) | 0.062 (5) | 0.071 (5) | −0.008 (4) | 0.015 (4) | −0.002 (4) |
| C33 | 0.076 (6) | 0.075 (6) | 0.097 (6) | −0.013 (5) | 0.025 (5) | 0.018 (5) |
| C34 | 0.079 (7) | 0.065 (6) | 0.101 (7) | −0.017 (4) | −0.004 (5) | 0.012 (5) |
| C35 | 0.096 (7) | 0.066 (6) | 0.100 (7) | −0.011 (5) | 0.001 (6) | −0.010 (5) |
| C36 | 0.073 (6) | 0.063 (5) | 0.074 (5) | −0.007 (4) | 0.013 (4) | −0.002 (4) |
| C37 | 0.059 (5) | 0.048 (4) | 0.052 (4) | −0.007 (3) | −0.003 (4) | 0.001 (3) |
| C38 | 0.067 (5) | 0.060 (5) | 0.066 (5) | −0.002 (4) | 0.001 (4) | 0.002 (4) |
| C39 | 0.072 (6) | 0.065 (5) | 0.071 (5) | −0.001 (4) | 0.005 (4) | −0.006 (4) |
| C40 | 0.067 (5) | 0.059 (5) | 0.072 (5) | 0.009 (4) | −0.003 (4) | −0.007 (4) |
| C41 | 0.087 (6) | 0.064 (5) | 0.071 (5) | 0.012 (4) | −0.004 (5) | 0.010 (4) |
| C42 | 0.073 (5) | 0.065 (5) | 0.060 (5) | 0.007 (4) | 0.005 (4) | 0.004 (4) |
| C43 | 0.062 (5) | 0.061 (5) | 0.061 (4) | −0.004 (4) | −0.007 (4) | 0.014 (4) |
| C44 | 0.085 (7) | 0.095 (7) | 0.123 (8) | −0.004 (5) | −0.024 (6) | −0.014 (6) |
| C45 | 0.108 (9) | 0.109 (8) | 0.140 (9) | −0.016 (6) | −0.028 (7) | −0.040 (7) |
| C46 | 0.096 (8) | 0.128 (9) | 0.098 (7) | −0.027 (7) | −0.037 (6) | 0.006 (6) |
| C47 | 0.098 (8) | 0.125 (9) | 0.149 (9) | −0.010 (7) | −0.050 (7) | 0.025 (7) |
| C48 | 0.086 (7) | 0.088 (7) | 0.122 (7) | −0.012 (5) | −0.031 (6) | 0.002 (5) |
| C49 | 0.066 (5) | 0.054 (4) | 0.055 (4) | 0.001 (4) | −0.002 (4) | 0.006 (3) |
| C50 | 0.080 (6) | 0.079 (5) | 0.062 (5) | −0.014 (4) | 0.007 (4) | 0.001 (4) |
| C51 | 0.097 (7) | 0.104 (6) | 0.063 (5) | −0.010 (5) | −0.011 (5) | −0.003 (5) |
| C52 | 0.104 (8) | 0.103 (7) | 0.067 (6) | −0.001 (5) | 0.011 (6) | 0.006 (5) |
| C53 | 0.083 (6) | 0.092 (6) | 0.076 (6) | −0.009 (5) | 0.025 (5) | 0.017 (5) |
| C54 | 0.073 (6) | 0.076 (5) | 0.066 (5) | −0.007 (4) | 0.005 (4) | 0.005 (4) |
| Ag1—P2 | 2.5076 (16) | C22—C23 | 1.347 (9) |
| Ag1—P3 | 2.5450 (17) | C22—H22 | 0.9300 |
| Ag1—P1 | 2.5663 (17) | C23—C24 | 1.407 (9) |
| Ag1—O1 | 2.608 (12) | C23—H23 | 0.9300 |
| P1—C7 | 1.809 (7) | C24—H24 | 0.9300 |
| P1—C1 | 1.809 (6) | C25—C30 | 1.378 (7) |
| P1—C13 | 1.826 (6) | C25—C26 | 1.386 (7) |
| P2—C19 | 1.803 (6) | C26—C27 | 1.382 (8) |
| P2—C31 | 1.808 (6) | C26—H26 | 0.9300 |
| P2—C25 | 1.815 (6) | C27—C28 | 1.369 (8) |
| P3—C43 | 1.785 (7) | C27—H27 | 0.9300 |
| P3—C49 | 1.814 (7) | C28—C29 | 1.351 (8) |
| P3—C37 | 1.815 (6) | C28—H28 | 0.9300 |
| Cl1—O2 | 1.386 (10) | C29—C30 | 1.393 (8) |
| Cl1—O4' | 1.39 (2) | C29—H29 | 0.9300 |
| Cl1—O3' | 1.39 (2) | C30—H30 | 0.9300 |
| Cl1—O2' | 1.393 (14) | C31—C36 | 1.373 (8) |
| Cl1—O3 | 1.400 (10) | C31—C32 | 1.386 (8) |
| Cl1—O1 | 1.403 (16) | C32—C33 | 1.388 (9) |
| Cl1—O1' | 1.419 (14) | C32—H32 | 0.9300 |
| Cl1—O4 | 1.44 (2) | C33—C34 | 1.363 (9) |
| C1—C2 | 1.364 (8) | C33—H33 | 0.9300 |
| C1—C6 | 1.391 (8) | C34—C35 | 1.368 (10) |
| C2—C3 | 1.388 (9) | C34—H34 | 0.9300 |
| C2—H2 | 0.9300 | C35—C36 | 1.389 (9) |
| C3—C4 | 1.354 (9) | C35—H35 | 0.9300 |
| C3—H3 | 0.9300 | C36—H36 | 0.9300 |
| C4—C5 | 1.365 (9) | C37—C38 | 1.374 (8) |
| C4—H4 | 0.9300 | C37—C42 | 1.403 (8) |
| C5—C6 | 1.386 (9) | C38—C39 | 1.399 (8) |
| C5—H5 | 0.9300 | C38—H38 | 0.9300 |
| C6—H6 | 0.9300 | C39—C40 | 1.369 (8) |
| C7—C8 | 1.361 (9) | C39—H39 | 0.9300 |
| C7—C12 | 1.377 (9) | C40—C41 | 1.349 (9) |
| C8—C9 | 1.386 (10) | C40—H40 | 0.9300 |
| C8—H8 | 0.9300 | C41—C42 | 1.378 (8) |
| C9—C10 | 1.351 (11) | C41—H41 | 0.9300 |
| C9—H9 | 0.9300 | C42—H42 | 0.9300 |
| C10—C11 | 1.370 (11) | C43—C44 | 1.363 (9) |
| C10—H10 | 0.9300 | C43—C48 | 1.370 (9) |
| C11—C12 | 1.399 (10) | C44—C45 | 1.392 (10) |
| C11—H11 | 0.9300 | C44—H44 | 0.9300 |
| C12—H12 | 0.9300 | C45—C46 | 1.354 (11) |
| C13—C18 | 1.359 (8) | C45—H45 | 0.9300 |
| C13—C14 | 1.378 (9) | C46—C47 | 1.353 (11) |
| C14—C15 | 1.395 (9) | C46—H46 | 0.9300 |
| C14—H14 | 0.9300 | C47—C48 | 1.384 (10) |
| C15—C16 | 1.382 (9) | C47—H47 | 0.9300 |
| C15—H15 | 0.9300 | C48—H48 | 0.9300 |
| C16—C17 | 1.330 (9) | C49—C50 | 1.370 (8) |
| C16—H16 | 0.9300 | C49—C54 | 1.386 (8) |
| C17—C18 | 1.405 (8) | C50—C51 | 1.385 (9) |
| C17—H17 | 0.9300 | C50—H50 | 0.9300 |
| C18—H18 | 0.9300 | C51—C52 | 1.348 (10) |
| C19—C24 | 1.385 (8) | C51—H51 | 0.9300 |
| C19—C20 | 1.406 (8) | C52—C53 | 1.360 (9) |
| C20—C21 | 1.382 (8) | C52—H52 | 0.9300 |
| C20—H20 | 0.9300 | C53—C54 | 1.384 (8) |
| C21—C22 | 1.360 (9) | C53—H53 | 0.9300 |
| C21—H21 | 0.9300 | C54—H54 | 0.9300 |
| P2—Ag1—P3 | 118.38 (6) | C24—C19—P2 | 124.3 (5) |
| P2—Ag1—P1 | 114.66 (5) | C20—C19—P2 | 116.7 (5) |
| P3—Ag1—P1 | 119.17 (6) | C21—C20—C19 | 120.2 (7) |
| P2—Ag1—O1 | 92.9 (4) | C21—C20—H20 | 119.9 |
| P3—Ag1—O1 | 87.0 (4) | C19—C20—H20 | 119.9 |
| P1—Ag1—O1 | 118.0 (4) | C22—C21—C20 | 119.8 (7) |
| C7—P1—C1 | 102.0 (3) | C22—C21—H21 | 120.1 |
| C7—P1—C13 | 102.4 (3) | C20—C21—H21 | 120.1 |
| C1—P1—C13 | 104.4 (3) | C23—C22—C21 | 121.5 (8) |
| C7—P1—Ag1 | 114.7 (2) | C23—C22—H22 | 119.2 |
| C1—P1—Ag1 | 115.9 (2) | C21—C22—H22 | 119.2 |
| C13—P1—Ag1 | 115.6 (2) | C22—C23—C24 | 120.2 (8) |
| C19—P2—C31 | 106.2 (3) | C22—C23—H23 | 119.9 |
| C19—P2—C25 | 102.8 (3) | C24—C23—H23 | 119.9 |
| C31—P2—C25 | 101.0 (3) | C19—C24—C23 | 119.4 (7) |
| C19—P2—Ag1 | 107.2 (2) | C19—C24—H24 | 120.3 |
| C31—P2—Ag1 | 118.4 (2) | C23—C24—H24 | 120.3 |
| C25—P2—Ag1 | 119.49 (19) | C30—C25—C26 | 118.2 (6) |
| C43—P3—C49 | 107.0 (3) | C30—C25—P2 | 124.9 (5) |
| C43—P3—C37 | 102.4 (3) | C26—C25—P2 | 116.9 (5) |
| C49—P3—C37 | 101.8 (3) | C27—C26—C25 | 120.7 (6) |
| C43—P3—Ag1 | 104.3 (2) | C27—C26—H26 | 119.6 |
| C49—P3—Ag1 | 115.9 (2) | C25—C26—H26 | 119.6 |
| C37—P3—Ag1 | 123.8 (2) | C28—C27—C26 | 120.4 (7) |
| O2—Cl1—O4' | 79.4 (12) | C28—C27—H27 | 119.8 |
| O2—Cl1—O3' | 79.0 (9) | C26—C27—H27 | 119.8 |
| O4'—Cl1—O3' | 113.9 (16) | C29—C28—C27 | 119.5 (7) |
| O2—Cl1—O2' | 58.4 (7) | C29—C28—H28 | 120.3 |
| O4'—Cl1—O2' | 102.1 (12) | C27—C28—H28 | 120.3 |
| O3'—Cl1—O2' | 116.9 (11) | C28—C29—C30 | 121.0 (6) |
| O2—Cl1—O3 | 108.2 (7) | C28—C29—H29 | 119.5 |
| O4'—Cl1—O3 | 113.4 (14) | C30—C29—H29 | 119.5 |
| O3'—Cl1—O3 | 132.6 (9) | C25—C30—C29 | 120.1 (6) |
| O2'—Cl1—O3 | 49.8 (6) | C25—C30—H30 | 119.9 |
| O2—Cl1—O1 | 110.2 (7) | C29—C30—H30 | 119.9 |
| O4'—Cl1—O1 | 125.5 (14) | C36—C31—C32 | 118.1 (6) |
| O3'—Cl1—O1 | 31.9 (7) | C36—C31—P2 | 119.3 (5) |
| O2'—Cl1—O1 | 129.3 (9) | C32—C31—P2 | 122.5 (5) |
| O3—Cl1—O1 | 113.5 (8) | C31—C32—C33 | 121.0 (7) |
| O2—Cl1—O1' | 153.5 (8) | C31—C32—H32 | 119.5 |
| O4'—Cl1—O1' | 121.1 (14) | C33—C32—H32 | 119.5 |
| O3'—Cl1—O1' | 104.0 (8) | C34—C33—C32 | 119.7 (8) |
| O2'—Cl1—O1' | 98.5 (9) | C34—C33—H33 | 120.1 |
| O3—Cl1—O1' | 50.4 (7) | C32—C33—H33 | 120.1 |
| O1—Cl1—O1' | 73.1 (7) | C33—C34—C35 | 120.4 (7) |
| O2—Cl1—O4 | 112.7 (7) | C33—C34—H34 | 119.8 |
| O4'—Cl1—O4 | 34.4 (10) | C35—C34—H34 | 119.8 |
| O3'—Cl1—O4 | 111.0 (13) | C34—C35—C36 | 119.8 (7) |
| O2'—Cl1—O4 | 126.7 (9) | C34—C35—H35 | 120.1 |
| O3—Cl1—O4 | 108.7 (11) | C36—C35—H35 | 120.1 |
| O1—Cl1—O4 | 103.7 (11) | C31—C36—C35 | 121.0 (7) |
| O1'—Cl1—O4 | 91.1 (10) | C31—C36—H36 | 119.5 |
| Cl1—O1—Ag1 | 126.0 (10) | C35—C36—H36 | 119.5 |
| C2—C1—C6 | 117.3 (6) | C38—C37—C42 | 117.2 (6) |
| C2—C1—P1 | 119.7 (5) | C38—C37—P3 | 119.7 (5) |
| C6—C1—P1 | 123.0 (5) | C42—C37—P3 | 123.0 (5) |
| C1—C2—C3 | 121.1 (7) | C37—C38—C39 | 121.2 (6) |
| C1—C2—H2 | 119.5 | C37—C38—H38 | 119.4 |
| C3—C2—H2 | 119.5 | C39—C38—H38 | 119.4 |
| C4—C3—C2 | 120.9 (7) | C40—C39—C38 | 120.1 (7) |
| C4—C3—H3 | 119.6 | C40—C39—H39 | 120.0 |
| C2—C3—H3 | 119.6 | C38—C39—H39 | 120.0 |
| C3—C4—C5 | 119.5 (7) | C41—C40—C39 | 119.4 (7) |
| C3—C4—H4 | 120.2 | C41—C40—H40 | 120.3 |
| C5—C4—H4 | 120.2 | C39—C40—H40 | 120.3 |
| C4—C5—C6 | 119.7 (7) | C40—C41—C42 | 121.6 (7) |
| C4—C5—H5 | 120.2 | C40—C41—H41 | 119.2 |
| C6—C5—H5 | 120.2 | C42—C41—H41 | 119.2 |
| C5—C6—C1 | 121.4 (7) | C41—C42—C37 | 120.5 (7) |
| C1—C6—H6 | 119.3 | C41—C42—H42 | 119.8 |
| C8—C7—C12 | 117.1 (7) | C37—C42—H42 | 119.8 |
| C8—C7—P1 | 117.7 (6) | C44—C43—C48 | 114.9 (7) |
| C12—C7—P1 | 125.1 (6) | C44—C43—P3 | 126.2 (6) |
| C7—C8—C9 | 122.8 (8) | C48—C43—P3 | 118.8 (6) |
| C7—C8—H8 | 118.6 | C43—C44—C45 | 123.0 (8) |
| C9—C8—H8 | 118.6 | C43—C44—H44 | 118.5 |
| C10—C9—C8 | 119.0 (9) | C45—C44—H44 | 118.5 |
| C10—C9—H9 | 120.5 | C46—C45—C44 | 119.5 (9) |
| C8—C9—H9 | 120.5 | C46—C45—H45 | 120.2 |
| C9—C10—C11 | 120.2 (9) | C44—C45—H45 | 120.2 |
| C9—C10—H10 | 119.9 | C47—C46—C45 | 119.8 (9) |
| C11—C10—H10 | 119.9 | C47—C46—H46 | 120.1 |
| C10—C11—C12 | 119.3 (9) | C45—C46—H46 | 120.1 |
| C10—C11—H11 | 120.3 | C46—C47—C48 | 119.1 (9) |
| C12—C11—H11 | 120.3 | C46—C47—H47 | 120.5 |
| C7—C12—C11 | 121.0 (8) | C48—C47—H47 | 120.5 |
| C7—C12—H12 | 119.5 | C43—C48—C47 | 123.7 (8) |
| C11—C12—H12 | 119.5 | C43—C48—H48 | 118.1 |
| C18—C13—C14 | 117.6 (6) | C47—C48—H48 | 118.1 |
| C18—C13—P1 | 119.1 (6) | C50—C49—C54 | 118.0 (6) |
| C14—C13—P1 | 123.4 (5) | C50—C49—P3 | 118.1 (6) |
| C13—C14—C15 | 121.4 (7) | C54—C49—P3 | 123.8 (5) |
| C13—C14—H14 | 119.3 | C49—C50—C51 | 120.2 (7) |
| C15—C14—H14 | 119.3 | C49—C50—H50 | 119.9 |
| C16—C15—C14 | 119.0 (8) | C51—C50—H50 | 119.9 |
| C16—C15—H15 | 120.5 | C52—C51—C50 | 121.4 (8) |
| C14—C15—H15 | 120.5 | C52—C51—H51 | 119.3 |
| C17—C16—C15 | 120.3 (7) | C50—C51—H51 | 119.3 |
| C17—C16—H16 | 119.9 | C51—C52—C53 | 119.4 (8) |
| C15—C16—H16 | 119.9 | C51—C52—H52 | 120.3 |
| C16—C17—C18 | 120.3 (7) | C53—C52—H52 | 120.3 |
| C16—C17—H17 | 119.9 | C52—C53—C54 | 120.2 (7) |
| C18—C17—H17 | 119.9 | C52—C53—H53 | 119.9 |
| C13—C18—C17 | 121.4 (7) | C54—C53—H53 | 119.9 |
| C13—C18—H18 | 119.3 | C53—C54—C49 | 120.8 (7) |
| C17—C18—H18 | 119.3 | C53—C54—H54 | 119.6 |
| C24—C19—C20 | 118.8 (6) | C49—C54—H54 | 119.6 |
| P2—Ag1—P1—C7 | 41.9 (3) | C31—P2—C19—C20 | −176.2 (5) |
| P3—Ag1—P1—C7 | −169.3 (2) | C25—P2—C19—C20 | −70.6 (5) |
| O1—Ag1—P1—C7 | −66.1 (5) | Ag1—P2—C19—C20 | 56.2 (5) |
| P2—Ag1—P1—C1 | 160.5 (2) | C24—C19—C20—C21 | −2.5 (10) |
| P3—Ag1—P1—C1 | −50.7 (2) | P2—C19—C20—C21 | −178.6 (5) |
| O1—Ag1—P1—C1 | 52.5 (5) | C19—C20—C21—C22 | 2.5 (11) |
| P2—Ag1—P1—C13 | −77.0 (2) | C20—C21—C22—C23 | −1.2 (13) |
| P3—Ag1—P1—C13 | 71.8 (2) | C21—C22—C23—C24 | 0.0 (13) |
| O1—Ag1—P1—C13 | 175.1 (5) | C20—C19—C24—C23 | 1.3 (10) |
| P3—Ag1—P2—C19 | −94.4 (2) | P2—C19—C24—C23 | 177.0 (5) |
| P1—Ag1—P2—C19 | 54.6 (2) | C22—C23—C24—C19 | 0.0 (11) |
| O1—Ag1—P2—C19 | 177.4 (5) | C19—P2—C25—C30 | −0.2 (6) |
| P3—Ag1—P2—C31 | 145.6 (2) | C31—P2—C25—C30 | 109.5 (6) |
| P1—Ag1—P2—C31 | −65.4 (2) | Ag1—P2—C25—C30 | −118.7 (5) |
| O1—Ag1—P2—C31 | 57.4 (4) | C19—P2—C25—C26 | −179.1 (5) |
| P3—Ag1—P2—C25 | 21.9 (2) | C31—P2—C25—C26 | −69.4 (5) |
| P1—Ag1—P2—C25 | 170.9 (2) | Ag1—P2—C25—C26 | 62.4 (5) |
| O1—Ag1—P2—C25 | −66.3 (5) | C30—C25—C26—C27 | −0.6 (10) |
| P2—Ag1—P3—C43 | 80.6 (3) | P2—C25—C26—C27 | 178.4 (5) |
| P1—Ag1—P3—C43 | −67.0 (3) | C25—C26—C27—C28 | 1.3 (11) |
| O1—Ag1—P3—C43 | 172.3 (5) | C26—C27—C28—C29 | 0.0 (11) |
| P2—Ag1—P3—C49 | −162.1 (2) | C27—C28—C29—C30 | −2.0 (11) |
| P1—Ag1—P3—C49 | 50.3 (3) | C26—C25—C30—C29 | −1.4 (9) |
| O1—Ag1—P3—C49 | −70.4 (5) | P2—C25—C30—C29 | 179.8 (5) |
| P2—Ag1—P3—C37 | −35.3 (2) | C28—C29—C30—C25 | 2.7 (11) |
| P1—Ag1—P3—C37 | 177.0 (2) | C19—P2—C31—C36 | −114.7 (5) |
| O1—Ag1—P3—C37 | 56.4 (5) | C25—P2—C31—C36 | 138.3 (5) |
| O2—Cl1—O1—Ag1 | 129.0 (9) | Ag1—P2—C31—C36 | 5.8 (6) |
| O4'—Cl1—O1—Ag1 | −139.7 (17) | C19—P2—C31—C32 | 68.7 (6) |
| O3'—Cl1—O1—Ag1 | 142 (3) | C25—P2—C31—C32 | −38.3 (6) |
| O2'—Cl1—O1—Ag1 | 64.0 (16) | Ag1—P2—C31—C32 | −170.8 (4) |
| O3—Cl1—O1—Ag1 | 7.6 (14) | C36—C31—C32—C33 | −0.4 (10) |
| O1'—Cl1—O1—Ag1 | −23.2 (10) | P2—C31—C32—C33 | 176.2 (5) |
| O4—Cl1—O1—Ag1 | −110.2 (12) | C31—C32—C33—C34 | −0.7 (11) |
| P2—Ag1—O1—Cl1 | −106.1 (11) | C32—C33—C34—C35 | 1.6 (12) |
| P3—Ag1—O1—Cl1 | 135.6 (12) | C33—C34—C35—C36 | −1.4 (12) |
| P1—Ag1—O1—Cl1 | 13.9 (13) | C32—C31—C36—C35 | 0.6 (10) |
| C7—P1—C1—C2 | 146.1 (6) | P2—C31—C36—C35 | −176.2 (5) |
| C13—P1—C1—C2 | −107.6 (6) | C34—C35—C36—C31 | 0.3 (11) |
| Ag1—P1—C1—C2 | 20.7 (7) | C43—P3—C37—C38 | −79.7 (6) |
| C7—P1—C1—C6 | −33.1 (7) | C49—P3—C37—C38 | 169.7 (5) |
| C13—P1—C1—C6 | 73.2 (7) | Ag1—P3—C37—C38 | 37.1 (6) |
| Ag1—P1—C1—C6 | −158.5 (5) | C43—P3—C37—C42 | 99.3 (5) |
| C6—C1—C2—C3 | −1.8 (11) | C49—P3—C37—C42 | −11.3 (6) |
| P1—C1—C2—C3 | 179.0 (6) | Ag1—P3—C37—C42 | −143.8 (4) |
| C1—C2—C3—C4 | −0.5 (13) | C42—C37—C38—C39 | −0.6 (9) |
| C2—C3—C4—C5 | 2.4 (14) | P3—C37—C38—C39 | 178.5 (5) |
| C3—C4—C5—C6 | −1.9 (13) | C37—C38—C39—C40 | 0.1 (10) |
| C4—C5—C6—C1 | −0.4 (12) | C38—C39—C40—C41 | 1.1 (10) |
| C2—C1—C6—C5 | 2.3 (11) | C39—C40—C41—C42 | −1.9 (11) |
| P1—C1—C6—C5 | −178.6 (6) | C40—C41—C42—C37 | 1.5 (11) |
| C1—P1—C7—C8 | −59.7 (7) | C38—C37—C42—C41 | −0.2 (9) |
| C13—P1—C7—C8 | −167.6 (6) | P3—C37—C42—C41 | −179.3 (5) |
| Ag1—P1—C7—C8 | 66.4 (6) | C49—P3—C43—C44 | 97.5 (7) |
| C1—P1—C7—C12 | 118.7 (7) | C37—P3—C43—C44 | −9.2 (8) |
| C13—P1—C7—C12 | 10.9 (7) | Ag1—P3—C43—C44 | −139.3 (6) |
| Ag1—P1—C7—C12 | −115.1 (6) | C49—P3—C43—C48 | −87.6 (6) |
| C12—C7—C8—C9 | 0.3 (13) | C37—P3—C43—C48 | 165.8 (6) |
| P1—C7—C8—C9 | 178.8 (7) | Ag1—P3—C43—C48 | 35.7 (7) |
| C7—C8—C9—C10 | 5.1 (15) | C48—C43—C44—C45 | 0.4 (12) |
| C8—C9—C10—C11 | −8.9 (16) | P3—C43—C44—C45 | 175.5 (7) |
| C9—C10—C11—C12 | 7.4 (16) | C43—C44—C45—C46 | −0.6 (15) |
| C8—C7—C12—C11 | −1.8 (12) | C44—C45—C46—C47 | 1.3 (16) |
| P1—C7—C12—C11 | 179.7 (7) | C45—C46—C47—C48 | −1.8 (16) |
| C10—C11—C12—C7 | −1.9 (14) | C44—C43—C48—C47 | −0.9 (13) |
| C7—P1—C13—C18 | −83.5 (6) | P3—C43—C48—C47 | −176.5 (7) |
| C1—P1—C13—C18 | 170.5 (5) | C46—C47—C48—C43 | 1.7 (15) |
| Ag1—P1—C13—C18 | 42.0 (6) | C43—P3—C49—C50 | 168.3 (5) |
| C7—P1—C13—C14 | 96.3 (6) | C37—P3—C49—C50 | −84.6 (6) |
| C1—P1—C13—C14 | −9.7 (7) | Ag1—P3—C49—C50 | 52.5 (6) |
| Ag1—P1—C13—C14 | −138.2 (6) | C43—P3—C49—C54 | −15.9 (7) |
| C18—C13—C14—C15 | 1.4 (11) | C37—P3—C49—C54 | 91.1 (6) |
| P1—C13—C14—C15 | −178.4 (6) | Ag1—P3—C49—C54 | −131.8 (5) |
| C13—C14—C15—C16 | 0.9 (12) | C54—C49—C50—C51 | −0.5 (10) |
| C14—C15—C16—C17 | −2.2 (12) | P3—C49—C50—C51 | 175.5 (6) |
| C15—C16—C17—C18 | 1.4 (12) | C49—C50—C51—C52 | 0.9 (12) |
| C14—C13—C18—C17 | −2.3 (10) | C50—C51—C52—C53 | −0.8 (13) |
| P1—C13—C18—C17 | 177.5 (5) | C51—C52—C53—C54 | 0.3 (13) |
| C16—C17—C18—C13 | 1.0 (11) | C52—C53—C54—C49 | 0.1 (11) |
| C31—P2—C19—C24 | 7.9 (6) | C50—C49—C54—C53 | 0.0 (10) |
| C25—P2—C19—C24 | 113.5 (6) | P3—C49—C54—C53 | −175.8 (5) |
| Ag1—P2—C19—C24 | −119.6 (5) |
Selected bond angles (°)
| P2—Ag1—P3 | 118.38 (6) |
| P2—Ag1—P1 | 114.66 (5) |
| P3—Ag1—P1 | 119.17 (6) |
| P2—Ag1—O1 | 92.9 (4) |
| P3—Ag1—O1 | 87.0 (4) |
| P1—Ag1—O1 | 118.0 (4) |