| Literature DB >> 21580248 |
Kateryna O Znovjyak, Vladimir A Ovchynnikov, Tetyana Yu Sliva, Svitlana V Shishkina, Vladimir M Amirkhanov.
Abstract
In the title compound, [UO(2)L(2)(NO(3))(2)] {L = N-{bis-[meth-yl(phen-yl)amino]phosphor-yl}-2,2,2-trichloro-acetamide, C(16)H(17)Cl(3)N(3)O(2)P}, the U(VI) ions are eight-coordinated by axial oxido ligands and six equatorial O atoms from the phosphoryl and nitrate groups in a distorted hexa-gonal-bipyramidal geometry. There are disordered fragments in the two coordinating L ligands: the trichloro-methyl group is rotationally disordered between two orientations [occupancy ratio 0.567 (15):0.433 (15)] in one ligand, and a meth-yl(phen-yl)amine fragment is disordered over two conformations [occupancy ratio 0.60 (4):0.40 (4)] in the other ligand. In the crystal structure, intra-molecular N-H⋯O hydrogen bonds between the amine and nitrate groups are observed.Entities:
Year: 2010 PMID: 21580248 PMCID: PMC2983606 DOI: 10.1107/S1600536810005611
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [U(NO3)2O2(C16H17Cl3N3O2P)2] | |
| Monoclinic, | Mo |
| Cell parameters from 37686 reflections | |
| θ = 2.9–34.9° | |
| µ = 3.95 mm−1 | |
| β = 97.421 (3)° | |
| Block, yellow | |
| 0.40 × 0.30 × 0.20 mm |
| Oxford Diffraction Xcalibur3 diffractometer | 10643 independent reflections |
| Radiation source: Enhance (Mo) X-ray Source | 7638 reflections with |
| graphite | |
| Detector resolution: 16.1827 pixels mm-1 | θmax = 27.5°, θmin = 2.9° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 24426 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 | |
| 10643 reflections | (Δ/σ)max = 0.049 |
| 618 parameters | Δρmax = 1.39 e Å−3 |
| 24 restraints | Δρmin = −1.02 e Å−3 |
| Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
| Refinement. Refinement of |
| Occ. (<1) | |||||
| U | 0.871559 (19) | 0.121947 (13) | 0.140066 (7) | 0.04079 (9) | |
| P1 | 0.70900 (15) | 0.16278 (10) | 0.01657 (5) | 0.0436 (3) | |
| P2 | 1.03225 (13) | 0.08951 (9) | 0.26388 (5) | 0.0372 (3) | |
| O11 | 0.7295 (5) | 0.1454 (3) | 0.06851 (15) | 0.0549 (11) | |
| O21 | 1.0084 (4) | 0.0994 (3) | 0.21199 (15) | 0.0483 (10) | |
| N11 | 0.7594 (5) | 0.2608 (3) | 0.01177 (16) | 0.0447 (11) | |
| H11A | 0.8135 | 0.2798 | 0.0349 | 0.054* | |
| O8 | 0.8433 (4) | −0.0173 (3) | 0.17804 (14) | 0.0543 (11) | |
| N21 | 0.9692 (5) | −0.0036 (3) | 0.27361 (17) | 0.0444 (11) | |
| H21A | 0.9185 | −0.0256 | 0.2504 | 0.053* | |
| O10 | 0.7016 (6) | −0.1106 (3) | 0.15164 (19) | 0.0695 (15) | |
| O6 | 0.8993 (4) | 0.2611 (3) | 0.10364 (15) | 0.0585 (12) | |
| O4 | 0.7473 (4) | 0.1592 (3) | 0.17174 (15) | 0.0534 (10) | |
| O3 | 0.9941 (5) | 0.0840 (3) | 0.10814 (16) | 0.0579 (11) | |
| O5 | 1.0157 (5) | 0.2449 (3) | 0.17055 (16) | 0.0661 (13) | |
| N4 | 0.7533 (5) | −0.0451 (3) | 0.14771 (18) | 0.0487 (12) | |
| O7 | 1.0225 (7) | 0.3611 (3) | 0.1343 (2) | 0.0839 (18) | |
| N22 | 1.1892 (4) | 0.0966 (3) | 0.28134 (17) | 0.0434 (11) | |
| N23 | 0.9589 (5) | 0.1539 (3) | 0.2961 (2) | 0.0563 (13) | |
| N13 | 0.7957 (6) | 0.1049 (3) | −0.0149 (2) | 0.0573 (14) | |
| O9 | 0.7204 (5) | 0.0014 (3) | 0.11269 (15) | 0.0648 (13) | |
| N3 | 0.9823 (5) | 0.2920 (3) | 0.13605 (19) | 0.0534 (13) | |
| N12 | 0.5536 (5) | 0.1541 (4) | −0.00397 (17) | 0.0520 (12) | |
| Cl5 | 0.7477 (3) | −0.1115 (2) | 0.3015 (2) | 0.196 (3) | |
| O12 | 0.6630 (5) | 0.2949 (3) | −0.06185 (15) | 0.0647 (13) | |
| Cl6 | 0.9530 (6) | −0.19012 (19) | 0.26862 (15) | 0.197 (2) | |
| O22 | 1.0626 (6) | −0.0249 (3) | 0.34914 (16) | 0.0727 (15) | |
| C51 | 0.8482 (6) | 0.1325 (4) | 0.3194 (2) | 0.0497 (14) | |
| C21 | 0.9902 (6) | −0.0475 (4) | 0.3143 (2) | 0.0477 (14) | |
| C52 | 0.8613 (8) | 0.1282 (4) | 0.3677 (3) | 0.0658 (19) | |
| H52A | 0.9421 | 0.1393 | 0.3856 | 0.079* | |
| C41 | 0.8742 (8) | 0.1335 (4) | −0.0495 (3) | 0.0611 (18) | |
| C11 | 0.7230 (7) | 0.3129 (4) | −0.0250 (2) | 0.0495 (14) | |
| C31 | 0.4569 (7) | 0.1903 (5) | 0.0203 (3) | 0.0636 (18) | |
| C56 | 0.7273 (7) | 0.1217 (6) | 0.2935 (3) | 0.077 (3) | |
| H56A | 0.7162 | 0.1285 | 0.2608 | 0.092* | |
| C53 | 0.7531 (10) | 0.1072 (6) | 0.3897 (3) | 0.085 (3) | |
| H53A | 0.7622 | 0.1034 | 0.4226 | 0.102* | |
| C22 | 0.9179 (9) | −0.1300 (4) | 0.3144 (3) | 0.067 (2) | |
| C54 | 0.6373 (8) | 0.0924 (8) | 0.3650 (3) | 0.094 (3) | |
| H54A | 0.5662 | 0.0766 | 0.3803 | 0.113* | |
| C32 | 0.4102 (9) | 0.1501 (7) | 0.0586 (3) | 0.082 (2) | |
| H32A | 0.4463 | 0.0999 | 0.0695 | 0.099* | |
| C36 | 0.4023 (9) | 0.2673 (6) | 0.0069 (3) | 0.091 (3) | |
| H36A | 0.4341 | 0.2974 | −0.0170 | 0.110* | |
| C12 | 0.7731 (5) | 0.3968 (3) | −0.01573 (12) | 0.084 (3) | |
| C24 | 0.9943 (10) | 0.2414 (5) | 0.2964 (4) | 0.107 (4) | |
| H24A | 0.9431 | 0.2710 | 0.3169 | 0.160* | |
| H24B | 0.9767 | 0.2630 | 0.2648 | 0.160* | |
| H24C | 1.0865 | 0.2475 | 0.3077 | 0.160* | |
| C42 | 0.8354 (15) | 0.1152 (7) | −0.0970 (4) | 0.121 (3) | |
| H42A | 0.7592 | 0.0846 | −0.1059 | 0.145* | |
| C29 | 0.7946 (12) | 0.0162 (5) | −0.0064 (4) | 0.106 (4) | |
| H29A | 0.8488 | −0.0109 | −0.0268 | 0.159* | |
| H29B | 0.7058 | −0.0040 | −0.0128 | 0.159* | |
| H29C | 0.8285 | 0.0052 | 0.0261 | 0.159* | |
| C55 | 0.6225 (8) | 0.1005 (7) | 0.3167 (4) | 0.099 (3) | |
| H55A | 0.5402 | 0.0915 | 0.2993 | 0.119* | |
| C46 | 0.9891 (12) | 0.1742 (7) | −0.0377 (5) | 0.127 (3) | |
| H46A | 1.0155 | 0.1856 | −0.0058 | 0.153* | |
| C35 | 0.3010 (14) | 0.2981 (10) | 0.0294 (6) | 0.154 (6) | |
| H35A | 0.2633 | 0.3484 | 0.0196 | 0.184* | |
| Cl4 | 0.9432 (4) | −0.1782 (2) | 0.36751 (10) | 0.1564 (17) | |
| C43 | 0.9124 (14) | 0.1433 (8) | −0.1318 (4) | 0.121 (3) | |
| H43A | 0.8862 | 0.1332 | −0.1639 | 0.145* | |
| C44 | 1.0247 (13) | 0.1852 (7) | −0.1174 (6) | 0.127 (3) | |
| H44A | 1.0737 | 0.2051 | −0.1404 | 0.153* | |
| C45 | 1.0703 (13) | 0.1998 (7) | −0.0707 (5) | 0.127 (3) | |
| H45A | 1.1509 | 0.2255 | −0.0615 | 0.153* | |
| C13 | 0.5054 (8) | 0.1276 (6) | −0.0522 (3) | 0.082 (3) | |
| H13A | 0.4107 | 0.1271 | −0.0565 | 0.124* | |
| H13B | 0.5377 | 0.0733 | −0.0574 | 0.124* | |
| H13C | 0.5361 | 0.1652 | −0.0745 | 0.124* | |
| C33 | 0.3089 (13) | 0.1862 (11) | 0.0799 (4) | 0.119 (4) | |
| H33A | 0.2780 | 0.1597 | 0.1053 | 0.143* | |
| C34 | 0.2554 (13) | 0.2578 (14) | 0.0648 (5) | 0.142 (6) | |
| H34A | 0.1860 | 0.2798 | 0.0789 | 0.170* | |
| C61A | 1.277 (3) | 0.0532 (18) | 0.2554 (12) | 0.035 (7) | 0.40 (4) |
| C62A | 1.325 (3) | 0.084 (2) | 0.2186 (12) | 0.080 (8) | 0.40 (4) |
| H62A | 1.2954 | 0.1361 | 0.2082 | 0.096* | 0.40 (4) |
| C63A | 1.414 (3) | 0.048 (2) | 0.1948 (11) | 0.080 (8) | 0.40 (4) |
| H63A | 1.4456 | 0.0742 | 0.1694 | 0.096* | 0.40 (4) |
| C64A | 1.454 (5) | −0.026 (3) | 0.2086 (11) | 0.119 (19) | 0.40 (4) |
| H64A | 1.5097 | −0.0551 | 0.1908 | 0.143* | 0.40 (4) |
| C65A | 1.415 (2) | −0.0641 (16) | 0.2503 (14) | 0.076 (9) | 0.40 (4) |
| H65A | 1.4524 | −0.1133 | 0.2624 | 0.092* | 0.40 (4) |
| C66A | 1.318 (3) | −0.0223 (15) | 0.2719 (9) | 0.050 (6) | 0.40 (4) |
| H66A | 1.2823 | −0.0462 | 0.2971 | 0.060* | 0.40 (4) |
| C23A | 1.235 (4) | 0.1244 (19) | 0.3328 (12) | 0.045 (7) | 0.40 (4) |
| H23A | 1.3295 | 0.1259 | 0.3382 | 0.068* | 0.40 (4) |
| H23B | 1.2027 | 0.0864 | 0.3544 | 0.068* | 0.40 (4) |
| H23C | 1.2006 | 0.1785 | 0.3376 | 0.068* | 0.40 (4) |
| C62B | 1.3294 (17) | 0.1168 (16) | 0.2199 (7) | 0.067 (5) | 0.60 (4) |
| H62B | 1.3008 | 0.1712 | 0.2190 | 0.080* | 0.60 (4) |
| C61B | 1.280 (3) | 0.0668 (16) | 0.2495 (10) | 0.057 (8) | 0.60 (4) |
| C63B | 1.417 (2) | 0.096 (3) | 0.1911 (7) | 0.108 (9) | 0.60 (4) |
| H63B | 1.4534 | 0.1352 | 0.1728 | 0.129* | 0.60 (4) |
| C64B | 1.452 (2) | 0.018 (3) | 0.1893 (14) | 0.123 (14) | 0.60 (4) |
| H64B | 1.4957 | −0.0013 | 0.1648 | 0.147* | 0.60 (4) |
| C65B | 1.421 (3) | −0.038 (3) | 0.2255 (18) | 0.157 (17) | 0.60 (4) |
| H65B | 1.4650 | −0.0879 | 0.2312 | 0.188* | 0.60 (4) |
| C66B | 1.320 (3) | −0.0131 (16) | 0.2518 (17) | 0.137 (14) | 0.60 (4) |
| H66B | 1.2815 | −0.0508 | 0.2704 | 0.164* | 0.60 (4) |
| C23B | 1.257 (3) | 0.116 (2) | 0.3260 (10) | 0.086 (11) | 0.60 (4) |
| H23D | 1.3502 | 0.1150 | 0.3246 | 0.129* | 0.60 (4) |
| H23E | 1.2352 | 0.0767 | 0.3489 | 0.129* | 0.60 (4) |
| H23F | 1.2316 | 0.1703 | 0.3351 | 0.129* | 0.60 (4) |
| Cl1A | 0.9423 (8) | 0.4061 (6) | 0.0048 (7) | 0.310 (13) | 0.567 (15) |
| Cl2A | 0.7365 (18) | 0.4709 (5) | −0.0607 (3) | 0.168 (6) | 0.567 (15) |
| Cl3A | 0.701 (2) | 0.4297 (7) | 0.0339 (4) | 0.312 (13) | 0.567 (15) |
| Cl1B | 0.9345 (8) | 0.3982 (7) | −0.0312 (7) | 0.159 (6) | 0.433 (15) |
| Cl2B | 0.6768 (16) | 0.4636 (6) | −0.0549 (5) | 0.121 (5) | 0.433 (15) |
| Cl3B | 0.7851 (17) | 0.4390 (6) | 0.04167 (19) | 0.145 (5) | 0.433 (15) |
| U | 0.03685 (13) | 0.04673 (14) | 0.03773 (13) | −0.00300 (9) | 0.00076 (8) | 0.00362 (9) |
| P1 | 0.0466 (8) | 0.0454 (8) | 0.0363 (7) | −0.0095 (7) | −0.0034 (6) | 0.0026 (6) |
| P2 | 0.0280 (6) | 0.0385 (7) | 0.0443 (8) | −0.0023 (6) | 0.0012 (5) | 0.0020 (6) |
| O11 | 0.055 (3) | 0.064 (3) | 0.042 (2) | −0.014 (2) | −0.0080 (19) | 0.008 (2) |
| O21 | 0.039 (2) | 0.053 (2) | 0.049 (2) | −0.0072 (18) | −0.0080 (18) | 0.0098 (19) |
| N11 | 0.054 (3) | 0.046 (3) | 0.032 (2) | −0.004 (2) | −0.006 (2) | 0.005 (2) |
| O8 | 0.058 (3) | 0.057 (2) | 0.045 (2) | −0.013 (2) | −0.005 (2) | 0.003 (2) |
| N21 | 0.045 (3) | 0.041 (3) | 0.044 (3) | −0.012 (2) | −0.004 (2) | 0.003 (2) |
| O10 | 0.083 (4) | 0.059 (3) | 0.064 (3) | −0.029 (3) | 0.000 (3) | 0.005 (2) |
| O6 | 0.062 (3) | 0.052 (3) | 0.056 (3) | −0.016 (2) | −0.013 (2) | 0.007 (2) |
| O4 | 0.049 (2) | 0.059 (3) | 0.053 (3) | 0.009 (2) | 0.0075 (19) | 0.007 (2) |
| O3 | 0.059 (3) | 0.058 (3) | 0.060 (3) | 0.004 (2) | 0.022 (2) | 0.000 (2) |
| O5 | 0.077 (3) | 0.061 (3) | 0.054 (3) | −0.016 (2) | −0.016 (2) | 0.011 (2) |
| N4 | 0.053 (3) | 0.049 (3) | 0.043 (3) | −0.013 (2) | 0.002 (2) | −0.001 (2) |
| O7 | 0.109 (5) | 0.060 (3) | 0.078 (4) | −0.034 (3) | −0.006 (3) | 0.004 (3) |
| N22 | 0.032 (2) | 0.056 (3) | 0.041 (3) | −0.005 (2) | −0.0008 (19) | −0.001 (2) |
| N23 | 0.051 (3) | 0.043 (3) | 0.079 (4) | 0.002 (2) | 0.025 (3) | −0.002 (3) |
| N13 | 0.064 (4) | 0.047 (3) | 0.060 (3) | −0.008 (3) | 0.005 (3) | 0.001 (2) |
| O9 | 0.073 (3) | 0.065 (3) | 0.049 (3) | −0.021 (2) | −0.018 (2) | 0.008 (2) |
| N3 | 0.055 (3) | 0.053 (3) | 0.052 (3) | −0.013 (3) | 0.002 (2) | 0.001 (3) |
| N12 | 0.047 (3) | 0.066 (3) | 0.040 (3) | −0.008 (3) | −0.003 (2) | 0.003 (3) |
| Cl5 | 0.086 (2) | 0.150 (3) | 0.336 (7) | −0.052 (2) | −0.036 (3) | 0.115 (4) |
| O12 | 0.089 (4) | 0.063 (3) | 0.036 (2) | −0.007 (3) | −0.014 (2) | 0.005 (2) |
| Cl6 | 0.366 (7) | 0.0752 (18) | 0.177 (3) | −0.072 (3) | 0.140 (4) | −0.052 (2) |
| O22 | 0.094 (4) | 0.068 (3) | 0.048 (3) | −0.018 (3) | −0.023 (3) | 0.004 (2) |
| C51 | 0.041 (3) | 0.055 (4) | 0.054 (4) | 0.007 (3) | 0.009 (3) | −0.007 (3) |
| C21 | 0.048 (3) | 0.046 (3) | 0.047 (3) | −0.003 (3) | −0.006 (3) | 0.004 (3) |
| C52 | 0.059 (4) | 0.078 (5) | 0.059 (4) | −0.004 (4) | 0.000 (3) | −0.006 (4) |
| C41 | 0.059 (4) | 0.051 (4) | 0.075 (5) | 0.009 (3) | 0.017 (4) | −0.001 (3) |
| C11 | 0.063 (4) | 0.051 (3) | 0.034 (3) | −0.002 (3) | 0.004 (3) | 0.004 (3) |
| C31 | 0.048 (4) | 0.080 (5) | 0.060 (4) | −0.012 (4) | −0.004 (3) | 0.002 (4) |
| C56 | 0.051 (4) | 0.134 (8) | 0.046 (4) | 0.008 (4) | 0.008 (3) | 0.007 (4) |
| C53 | 0.091 (7) | 0.115 (7) | 0.052 (4) | 0.006 (6) | 0.025 (4) | −0.003 (4) |
| C22 | 0.086 (5) | 0.052 (4) | 0.059 (4) | −0.015 (4) | −0.008 (4) | 0.013 (3) |
| C54 | 0.055 (5) | 0.149 (9) | 0.087 (7) | −0.014 (5) | 0.039 (5) | −0.006 (6) |
| C32 | 0.066 (5) | 0.120 (7) | 0.061 (5) | −0.018 (5) | 0.010 (4) | 0.006 (5) |
| C36 | 0.086 (6) | 0.100 (7) | 0.089 (6) | 0.030 (5) | 0.014 (5) | 0.020 (5) |
| C12 | 0.139 (9) | 0.051 (4) | 0.053 (4) | 0.002 (5) | −0.013 (5) | 0.011 (3) |
| C24 | 0.110 (8) | 0.048 (4) | 0.178 (11) | −0.012 (5) | 0.077 (8) | −0.016 (5) |
| C42 | 0.141 (8) | 0.146 (7) | 0.083 (5) | 0.016 (6) | 0.046 (5) | 0.001 (5) |
| C29 | 0.160 (10) | 0.055 (5) | 0.112 (8) | −0.009 (6) | 0.052 (7) | −0.008 (5) |
| C55 | 0.039 (4) | 0.160 (9) | 0.099 (7) | −0.011 (5) | 0.009 (4) | −0.028 (7) |
| C46 | 0.109 (5) | 0.101 (4) | 0.184 (8) | −0.005 (4) | 0.065 (5) | −0.009 (5) |
| C35 | 0.110 (10) | 0.156 (13) | 0.188 (15) | 0.064 (10) | −0.005 (10) | −0.032 (12) |
| Cl4 | 0.230 (4) | 0.127 (2) | 0.0944 (19) | −0.088 (3) | −0.047 (2) | 0.0574 (18) |
| C43 | 0.141 (8) | 0.146 (7) | 0.083 (5) | 0.016 (6) | 0.046 (5) | 0.001 (5) |
| C44 | 0.109 (5) | 0.101 (4) | 0.184 (8) | −0.005 (4) | 0.065 (5) | −0.009 (5) |
| C45 | 0.109 (5) | 0.101 (4) | 0.184 (8) | −0.005 (4) | 0.065 (5) | −0.009 (5) |
| C13 | 0.060 (4) | 0.135 (8) | 0.049 (4) | −0.030 (5) | −0.008 (3) | −0.021 (4) |
| C33 | 0.098 (9) | 0.181 (14) | 0.082 (7) | −0.012 (9) | 0.026 (6) | −0.001 (8) |
| C34 | 0.086 (9) | 0.24 (2) | 0.101 (10) | −0.004 (11) | 0.031 (7) | −0.045 (12) |
| C61A | 0.022 (12) | 0.046 (13) | 0.036 (11) | 0.006 (9) | −0.003 (8) | −0.003 (9) |
| C62A | 0.109 (19) | 0.069 (16) | 0.069 (12) | 0.028 (13) | 0.038 (11) | 0.016 (12) |
| C63A | 0.109 (19) | 0.069 (16) | 0.069 (12) | 0.028 (13) | 0.038 (11) | 0.016 (12) |
| C64A | 0.20 (5) | 0.12 (3) | 0.053 (18) | 0.01 (3) | 0.07 (2) | −0.020 (18) |
| C65A | 0.052 (12) | 0.047 (12) | 0.13 (2) | 0.036 (9) | 0.000 (13) | 0.013 (13) |
| C66A | 0.046 (12) | 0.051 (12) | 0.056 (12) | 0.005 (9) | 0.018 (8) | −0.001 (8) |
| C23A | 0.051 (17) | 0.058 (12) | 0.026 (10) | −0.010 (10) | 0.001 (10) | 0.008 (10) |
| C62B | 0.052 (8) | 0.087 (12) | 0.063 (9) | −0.002 (8) | 0.016 (6) | 0.004 (9) |
| C61B | 0.038 (11) | 0.062 (11) | 0.071 (17) | −0.001 (8) | 0.005 (10) | −0.012 (10) |
| C63B | 0.083 (12) | 0.16 (3) | 0.087 (13) | 0.008 (16) | 0.042 (10) | 0.007 (16) |
| C64B | 0.083 (14) | 0.15 (3) | 0.15 (3) | −0.001 (16) | 0.065 (16) | −0.05 (2) |
| C65B | 0.15 (3) | 0.12 (3) | 0.19 (5) | 0.08 (2) | −0.02 (3) | −0.03 (2) |
| C66B | 0.073 (15) | 0.096 (18) | 0.26 (4) | −0.003 (13) | 0.08 (2) | −0.03 (2) |
| C23B | 0.035 (8) | 0.17 (3) | 0.052 (12) | −0.018 (10) | 0.004 (7) | −0.048 (11) |
| Cl1A | 0.332 (17) | 0.126 (7) | 0.40 (2) | −0.145 (9) | −0.229 (17) | 0.104 (11) |
| Cl2A | 0.360 (18) | 0.075 (4) | 0.057 (3) | −0.049 (6) | −0.020 (6) | 0.021 (3) |
| Cl3A | 0.77 (4) | 0.076 (5) | 0.104 (6) | −0.019 (13) | 0.097 (13) | −0.050 (4) |
| Cl1B | 0.113 (7) | 0.113 (6) | 0.266 (15) | −0.065 (6) | 0.077 (8) | −0.060 (8) |
| Cl2B | 0.192 (10) | 0.045 (4) | 0.112 (7) | 0.015 (5) | −0.040 (6) | 0.034 (3) |
| Cl3B | 0.334 (15) | 0.059 (4) | 0.034 (3) | −0.061 (6) | −0.007 (5) | −0.008 (3) |
| U—O3 | 1.750 (4) | C36—C35 | 1.379 (16) |
| U—O4 | 1.756 (4) | C36—H36A | 0.9300 |
| U—O21 | 2.352 (4) | C12—Cl1A | 1.7587 (10) |
| U—O11 | 2.372 (4) | C12—Cl2A | 1.7590 (10) |
| U—O6 | 2.515 (4) | C12—Cl3B | 1.7591 (10) |
| U—O8 | 2.537 (4) | C12—Cl2B | 1.7593 (10) |
| U—O9 | 2.550 (4) | C12—Cl3A | 1.7600 (10) |
| U—O5 | 2.564 (4) | C12—Cl1B | 1.7606 (10) |
| U—N4 | 2.986 (5) | C24—H24A | 0.9600 |
| U—N3 | 2.989 (5) | C24—H24B | 0.9600 |
| P1—O11 | 1.492 (4) | C24—H24C | 0.9600 |
| P1—N12 | 1.626 (5) | C42—C43 | 1.418 (16) |
| P1—N13 | 1.634 (6) | C42—H42A | 0.9300 |
| P1—N11 | 1.683 (5) | C29—H29A | 0.9600 |
| P2—O21 | 1.473 (4) | C29—H29B | 0.9600 |
| P2—N22 | 1.621 (5) | C29—H29C | 0.9600 |
| P2—N23 | 1.635 (6) | C55—H55A | 0.9300 |
| P2—N21 | 1.680 (5) | C46—C45 | 1.395 (15) |
| N11—C11 | 1.358 (7) | C46—H46A | 0.9300 |
| N11—H11A | 0.8600 | C35—C34 | 1.33 (2) |
| O8—N4 | 1.260 (6) | C35—H35A | 0.9300 |
| N21—C21 | 1.350 (7) | C43—C44 | 1.351 (17) |
| N21—H21A | 0.8600 | C43—H43A | 0.9300 |
| O10—N4 | 1.198 (6) | C44—C45 | 1.371 (17) |
| O6—N3 | 1.271 (6) | C44—H44A | 0.9300 |
| O5—N3 | 1.255 (7) | C45—H45A | 0.9300 |
| N4—O9 | 1.260 (6) | C13—H13A | 0.9600 |
| O7—N3 | 1.198 (7) | C13—H13B | 0.9600 |
| N22—C23B | 1.40 (3) | C13—H13C | 0.9600 |
| N22—C61A | 1.42 (2) | C33—C34 | 1.33 (2) |
| N22—C61B | 1.46 (2) | C33—H33A | 0.9300 |
| N22—C23A | 1.54 (4) | C34—H34A | 0.9300 |
| N23—C51 | 1.424 (8) | C61A—C62A | 1.315 (19) |
| N23—C24 | 1.464 (9) | C61A—C66A | 1.36 (2) |
| N13—C41 | 1.425 (10) | C62A—C63A | 1.33 (2) |
| N13—C29 | 1.459 (10) | C62A—H62A | 0.9300 |
| N12—C31 | 1.405 (9) | C63A—C64A | 1.32 (4) |
| N12—C13 | 1.461 (8) | C63A—H63A | 0.9300 |
| Cl5—C22 | 1.756 (9) | C64A—C65A | 1.44 (4) |
| O12—C11 | 1.180 (7) | C64A—H64A | 0.9300 |
| Cl6—C22 | 1.702 (9) | C65A—C66A | 1.41 (3) |
| O22—C21 | 1.215 (7) | C65A—H65A | 0.9300 |
| C51—C56 | 1.365 (10) | C66A—H66A | 0.9300 |
| C51—C52 | 1.365 (10) | C23A—H23A | 0.9600 |
| C21—C22 | 1.530 (9) | C23A—H23B | 0.9600 |
| C52—C53 | 1.381 (12) | C23A—H23C | 0.9600 |
| C52—H52A | 0.9300 | C62B—C63B | 1.336 (17) |
| C41—C46 | 1.351 (14) | C62B—C61B | 1.315 (18) |
| C41—C42 | 1.390 (15) | C62B—H62B | 0.9300 |
| C11—C12 | 1.467 (8) | C61B—C66B | 1.360 (19) |
| C31—C36 | 1.400 (11) | C63B—C64B | 1.32 (3) |
| C31—C32 | 1.403 (11) | C63B—H63B | 0.9300 |
| C56—C55 | 1.371 (11) | C64B—C65B | 1.43 (4) |
| C56—H56A | 0.9300 | C64B—H64B | 0.9300 |
| C53—C54 | 1.317 (12) | C65B—C66B | 1.41 (2) |
| C53—H53A | 0.9300 | C65B—H65B | 0.9300 |
| C22—Cl4 | 1.690 (7) | C66B—H66B | 0.9300 |
| C54—C55 | 1.371 (12) | C23B—H23D | 0.9600 |
| C54—H54A | 0.9300 | C23B—H23E | 0.9600 |
| C32—C33 | 1.395 (15) | C23B—H23F | 0.9600 |
| C32—H32A | 0.9300 | ||
| O3—U—O4 | 179.3 (2) | C21—C22—Cl5 | 108.4 (5) |
| O3—U—O21 | 90.65 (19) | Cl4—C22—Cl5 | 107.5 (5) |
| O4—U—O21 | 89.76 (17) | Cl6—C22—Cl5 | 103.8 (5) |
| O3—U—O11 | 90.6 (2) | C53—C54—C55 | 119.4 (8) |
| O4—U—O11 | 88.96 (18) | C53—C54—H54A | 120.3 |
| O21—U—O11 | 178.71 (15) | C55—C54—H54A | 120.3 |
| O3—U—O6 | 88.62 (19) | C33—C32—C31 | 119.1 (10) |
| O4—U—O6 | 91.73 (18) | C33—C32—H32A | 120.4 |
| O21—U—O6 | 114.30 (13) | C31—C32—H32A | 120.4 |
| O11—U—O6 | 65.94 (14) | C35—C36—C31 | 119.6 (11) |
| O3—U—O8 | 92.05 (19) | C35—C36—H36A | 120.2 |
| O4—U—O8 | 87.61 (18) | C31—C36—H36A | 120.2 |
| O21—U—O8 | 65.11 (13) | C11—C12—Cl1A | 116.4 (5) |
| O11—U—O8 | 114.64 (14) | C11—C12—Cl2A | 117.9 (5) |
| O6—U—O8 | 179.10 (14) | Cl1A—C12—Cl2A | 106.9 (6) |
| O3—U—O9 | 91.0 (2) | C11—C12—Cl3B | 120.6 (5) |
| O4—U—O9 | 88.3 (2) | Cl1A—C12—Cl3B | 73.2 (7) |
| O21—U—O9 | 114.52 (14) | Cl2A—C12—Cl3B | 113.0 (6) |
| O11—U—O9 | 65.26 (15) | C11—C12—Cl2B | 107.7 (5) |
| O6—U—O9 | 131.19 (13) | Cl1A—C12—Cl2B | 127.1 (7) |
| O8—U—O9 | 49.41 (13) | Cl2A—C12—Cl2B | 21.7 (9) |
| O3—U—O5 | 91.8 (2) | Cl3B—C12—Cl2B | 108.3 (7) |
| O4—U—O5 | 88.9 (2) | C11—C12—Cl3A | 104.7 (6) |
| O21—U—O5 | 64.90 (14) | Cl1A—C12—Cl3A | 101.8 (8) |
| O11—U—O5 | 115.25 (15) | Cl2A—C12—Cl3A | 107.6 (7) |
| O6—U—O5 | 49.47 (13) | Cl3B—C12—Cl3A | 28.9 (8) |
| O8—U—O5 | 129.89 (14) | Cl2B—C12—Cl3A | 93.5 (7) |
| O9—U—O5 | 177.16 (17) | C11—C12—Cl1B | 106.4 (5) |
| O3—U—N4 | 92.39 (19) | Cl1A—C12—Cl1B | 33.9 (6) |
| O4—U—N4 | 87.04 (18) | Cl2A—C12—Cl1B | 85.9 (7) |
| O21—U—N4 | 89.79 (14) | Cl3B—C12—Cl1B | 105.7 (7) |
| O11—U—N4 | 89.96 (14) | Cl2B—C12—Cl1B | 107.4 (8) |
| O6—U—N4 | 155.89 (13) | Cl3A—C12—Cl1B | 134.5 (8) |
| O8—U—N4 | 24.69 (13) | N23—C24—H24A | 109.5 |
| O9—U—N4 | 24.74 (13) | N23—C24—H24B | 109.5 |
| O5—U—N4 | 154.40 (14) | H24A—C24—H24B | 109.5 |
| O3—U—N3 | 90.31 (19) | N23—C24—H24C | 109.5 |
| O4—U—N3 | 90.27 (19) | H24A—C24—H24C | 109.5 |
| O21—U—N3 | 89.49 (14) | H24B—C24—H24C | 109.5 |
| O11—U—N3 | 90.70 (15) | C41—C42—C43 | 119.7 (13) |
| O6—U—N3 | 24.85 (13) | C41—C42—H42A | 120.1 |
| O8—U—N3 | 154.51 (14) | C43—C42—H42A | 120.1 |
| O9—U—N3 | 155.93 (14) | N13—C29—H29A | 109.5 |
| O5—U—N3 | 24.62 (13) | N13—C29—H29B | 109.5 |
| N4—U—N3 | 177.22 (14) | H29A—C29—H29B | 109.5 |
| O11—P1—N12 | 110.2 (3) | N13—C29—H29C | 109.5 |
| O11—P1—N13 | 114.6 (3) | H29A—C29—H29C | 109.5 |
| N12—P1—N13 | 109.1 (3) | H29B—C29—H29C | 109.5 |
| O11—P1—N11 | 104.7 (2) | C54—C55—C56 | 120.9 (8) |
| N12—P1—N11 | 110.3 (3) | C54—C55—H55A | 119.5 |
| N13—P1—N11 | 107.8 (3) | C56—C55—H55A | 119.5 |
| O21—P2—N22 | 109.1 (3) | C41—C46—C45 | 123.5 (14) |
| O21—P2—N23 | 117.6 (3) | C41—C46—H46A | 118.3 |
| N22—P2—N23 | 106.9 (3) | C45—C46—H46A | 118.3 |
| O21—P2—N21 | 104.2 (2) | C34—C35—C36 | 122.0 (14) |
| N22—P2—N21 | 113.5 (3) | C34—C35—H35A | 119.0 |
| N23—P2—N21 | 105.6 (3) | C36—C35—H35A | 119.0 |
| P1—O11—U | 150.6 (3) | C44—C43—C42 | 118.4 (13) |
| P2—O21—U | 152.9 (3) | C44—C43—H43A | 120.8 |
| C11—N11—P1 | 126.4 (4) | C42—C43—H43A | 120.8 |
| C11—N11—H11A | 116.8 | C43—C44—C45 | 123.4 (13) |
| P1—N11—H11A | 116.8 | C43—C44—H44A | 118.3 |
| N4—O8—U | 98.1 (3) | C45—C44—H44A | 118.3 |
| C21—N21—P2 | 126.3 (4) | C44—C45—C46 | 116.4 (13) |
| C21—N21—H21A | 116.8 | C44—C45—H45A | 121.8 |
| P2—N21—H21A | 116.8 | C46—C45—H45A | 121.8 |
| N3—O6—U | 98.9 (3) | N12—C13—H13A | 109.5 |
| N3—O5—U | 97.0 (3) | N12—C13—H13B | 109.5 |
| O10—N4—O8 | 123.0 (5) | H13A—C13—H13B | 109.5 |
| O10—N4—O9 | 121.9 (5) | N12—C13—H13C | 109.5 |
| O8—N4—O9 | 115.1 (5) | H13A—C13—H13C | 109.5 |
| O10—N4—U | 177.2 (5) | H13B—C13—H13C | 109.5 |
| O8—N4—U | 57.3 (3) | C34—C33—C32 | 121.6 (13) |
| O9—N4—U | 57.9 (3) | C34—C33—H33A | 119.2 |
| C23B—N22—C61A | 108 (2) | C32—C33—H33A | 119.2 |
| C23B—N22—C61B | 111.1 (17) | C33—C34—C35 | 120.1 (14) |
| C61A—N22—C61B | 11.1 (17) | C33—C34—H34A | 119.9 |
| C23B—N22—C23A | 12 (2) | C35—C34—H34A | 119.9 |
| C61A—N22—C23A | 120 (2) | C62A—C61A—C66A | 119.2 (18) |
| C61B—N22—C23A | 123.2 (19) | C62A—C61A—N22 | 124 (2) |
| C23B—N22—P2 | 130.2 (13) | C66A—C61A—N22 | 117 (2) |
| C61A—N22—P2 | 118.2 (16) | C63A—C62A—C61A | 126 (2) |
| C61B—N22—P2 | 118.0 (13) | C63A—C62A—H62A | 117.1 |
| C23A—N22—P2 | 118.4 (16) | C61A—C62A—H62A | 117.0 |
| C51—N23—C24 | 116.4 (6) | C64A—C63A—C62A | 117 (2) |
| C51—N23—P2 | 123.6 (4) | C64A—C63A—H63A | 121.3 |
| C24—N23—P2 | 119.4 (5) | C62A—C63A—H63A | 121.3 |
| C41—N13—C29 | 116.9 (7) | C63A—C64A—C65A | 122 (2) |
| C41—N13—P1 | 125.7 (4) | C63A—C64A—H64A | 119.1 |
| C29—N13—P1 | 117.4 (6) | C65A—C64A—H64A | 119.2 |
| N4—O9—U | 97.4 (3) | C66A—C65A—C64A | 116 (2) |
| O7—N3—O5 | 122.8 (6) | C66A—C65A—H65A | 121.9 |
| O7—N3—O6 | 122.6 (6) | C64A—C65A—H65A | 121.9 |
| O5—N3—O6 | 114.6 (5) | C61A—C66A—C65A | 119 (2) |
| O7—N3—U | 177.9 (5) | C61A—C66A—H66A | 120.4 |
| O5—N3—U | 58.3 (3) | C65A—C66A—H66A | 120.4 |
| O6—N3—U | 56.2 (3) | N22—C23A—H23A | 109.5 |
| C31—N12—C13 | 114.3 (6) | N22—C23A—H23B | 109.5 |
| C31—N12—P1 | 120.2 (4) | H23A—C23A—H23B | 109.5 |
| C13—N12—P1 | 123.9 (5) | N22—C23A—H23C | 109.5 |
| C56—C51—C52 | 120.0 (7) | H23A—C23A—H23C | 109.5 |
| C56—C51—N23 | 119.9 (6) | H23B—C23A—H23C | 109.5 |
| C52—C51—N23 | 119.9 (6) | C63B—C62B—C61B | 125.5 (18) |
| O22—C21—N21 | 123.6 (6) | C63B—C62B—H62B | 117.3 |
| O22—C21—C22 | 120.3 (6) | C61B—C62B—H62B | 117.3 |
| N21—C21—C22 | 116.1 (5) | C62B—C61B—C66B | 118.6 (16) |
| C51—C52—C53 | 119.2 (7) | C62B—C61B—N22 | 121.4 (18) |
| C51—C52—H52A | 120.4 | C66B—C61B—N22 | 119.9 (18) |
| C53—C52—H52A | 120.4 | C64B—C63B—C62B | 118 (2) |
| C46—C41—C42 | 118.4 (10) | C64B—C63B—H63B | 120.9 |
| C46—C41—N13 | 122.4 (9) | C62B—C63B—H63B | 120.9 |
| C42—C41—N13 | 119.1 (8) | C63B—C64B—C65B | 120 (2) |
| O12—C11—N11 | 126.1 (6) | C63B—C64B—H64B | 120.2 |
| O12—C11—C12 | 121.3 (5) | C65B—C64B—H64B | 120.2 |
| N11—C11—C12 | 112.6 (5) | C66B—C65B—C64B | 116 (2) |
| C36—C31—C32 | 117.6 (8) | C66B—C65B—H65B | 121.9 |
| C36—C31—N12 | 121.3 (7) | C64B—C65B—H65B | 121.9 |
| C32—C31—N12 | 121.1 (7) | C61B—C66B—C65B | 119 (2) |
| C51—C56—C55 | 118.8 (7) | C61B—C66B—H66B | 120.5 |
| C51—C56—H56A | 120.6 | C65B—C66B—H66B | 120.4 |
| C55—C56—H56A | 120.6 | N22—C23B—H23D | 109.5 |
| C54—C53—C52 | 121.4 (8) | N22—C23B—H23E | 109.5 |
| C54—C53—H53A | 119.3 | H23D—C23B—H23E | 109.5 |
| C52—C53—H53A | 119.3 | N22—C23B—H23F | 109.5 |
| C21—C22—Cl4 | 112.9 (5) | H23D—C23B—H23F | 109.5 |
| C21—C22—Cl6 | 110.5 (6) | H23E—C23B—H23F | 109.5 |
| Cl4—C22—Cl6 | 113.3 (5) | ||
| N12—P1—O11—U | 171.1 (5) | O4—U—N3—O7 | −36 (12) |
| N13—P1—O11—U | 47.7 (7) | O21—U—N3—O7 | −126 (12) |
| N11—P1—O11—U | −70.2 (6) | O11—U—N3—O7 | 53 (12) |
| O3—U—O11—P1 | −26.7 (6) | O6—U—N3—O7 | 57 (12) |
| O4—U—O11—P1 | 153.9 (6) | O8—U—N3—O7 | −121 (12) |
| O21—U—O11—P1 | 162 (6) | O9—U—N3—O7 | 50 (13) |
| O6—U—O11—P1 | 61.5 (6) | O5—U—N3—O7 | −123 (13) |
| O8—U—O11—P1 | −119.2 (6) | N4—U—N3—O7 | −51 (14) |
| O9—U—O11—P1 | −117.5 (6) | O3—U—N3—O5 | −93.6 (4) |
| O5—U—O11—P1 | 65.6 (6) | O4—U—N3—O5 | 86.8 (4) |
| N4—U—O11—P1 | −119.1 (6) | O21—U—N3—O5 | −2.9 (4) |
| N3—U—O11—P1 | 63.6 (6) | O11—U—N3—O5 | 175.8 (4) |
| N22—P2—O21—U | −166.1 (5) | O6—U—N3—O5 | −179.6 (6) |
| N23—P2—O21—U | −44.2 (7) | O8—U—N3—O5 | 1.8 (6) |
| N21—P2—O21—U | 72.3 (6) | O9—U—N3—O5 | 173.2 (4) |
| O3—U—O21—P2 | −162.8 (6) | N4—U—N3—O5 | 72 (3) |
| O4—U—O21—P2 | 16.7 (6) | O3—U—N3—O6 | 86.1 (4) |
| O11—U—O21—P2 | 8(7) | O4—U—N3—O6 | −93.5 (4) |
| O6—U—O21—P2 | 108.4 (6) | O21—U—N3—O6 | 176.7 (4) |
| O8—U—O21—P2 | −70.8 (6) | O11—U—N3—O6 | −4.6 (4) |
| O9—U—O21—P2 | −71.4 (6) | O8—U—N3—O6 | −178.5 (4) |
| O5—U—O21—P2 | 105.6 (6) | O9—U—N3—O6 | −7.1 (6) |
| N4—U—O21—P2 | −70.4 (6) | O5—U—N3—O6 | 179.6 (6) |
| N3—U—O21—P2 | 106.9 (6) | N4—U—N3—O6 | −108 (3) |
| O11—P1—N11—C11 | −157.5 (5) | O11—P1—N12—C31 | 46.0 (6) |
| N12—P1—N11—C11 | −39.0 (6) | N13—P1—N12—C31 | 172.6 (5) |
| N13—P1—N11—C11 | 80.1 (6) | N11—P1—N12—C31 | −69.2 (6) |
| O3—U—O8—N4 | −91.3 (4) | O11—P1—N12—C13 | −149.1 (6) |
| O4—U—O8—N4 | 88.1 (4) | N13—P1—N12—C13 | −22.5 (7) |
| O21—U—O8—N4 | 179.0 (4) | N11—P1—N12—C13 | 95.7 (6) |
| O11—U—O8—N4 | 0.4 (4) | C24—N23—C51—C56 | 98.3 (9) |
| O6—U—O8—N4 | 131 (9) | P2—N23—C51—C56 | −72.9 (8) |
| O9—U—O8—N4 | −1.7 (3) | C24—N23—C51—C52 | −77.4 (9) |
| O5—U—O8—N4 | 174.7 (3) | P2—N23—C51—C52 | 111.4 (7) |
| N3—U—O8—N4 | 173.7 (3) | P2—N21—C21—O22 | −2.3 (10) |
| O21—P2—N21—C21 | 165.7 (5) | P2—N21—C21—C22 | 178.4 (5) |
| N22—P2—N21—C21 | 47.1 (6) | C56—C51—C52—C53 | 4.4 (11) |
| N23—P2—N21—C21 | −69.7 (6) | N23—C51—C52—C53 | −179.8 (7) |
| O3—U—O6—N3 | −93.7 (4) | C29—N13—C41—C46 | −107.2 (10) |
| O4—U—O6—N3 | 86.9 (4) | P1—N13—C41—C46 | 71.8 (10) |
| O21—U—O6—N3 | −3.6 (4) | C29—N13—C41—C42 | 69.2 (11) |
| O11—U—O6—N3 | 175.0 (4) | P1—N13—C41—C42 | −111.9 (8) |
| O8—U—O6—N3 | 45 (9) | P1—N11—C11—O12 | −9.6 (10) |
| O9—U—O6—N3 | 176.1 (3) | P1—N11—C11—C12 | 173.6 (4) |
| O5—U—O6—N3 | −0.2 (3) | C13—N12—C31—C36 | −68.8 (9) |
| N4—U—O6—N3 | 173.5 (4) | P1—N12—C31—C36 | 97.5 (8) |
| O3—U—O5—N3 | 86.9 (4) | C13—N12—C31—C32 | 110.2 (8) |
| O4—U—O5—N3 | −93.0 (4) | P1—N12—C31—C32 | −83.5 (8) |
| O21—U—O5—N3 | 176.8 (4) | C52—C51—C56—C55 | −4.8 (12) |
| O11—U—O5—N3 | −4.7 (4) | N23—C51—C56—C55 | 179.5 (8) |
| O6—U—O5—N3 | 0.2 (3) | C51—C52—C53—C54 | −1.0 (14) |
| O8—U—O5—N3 | −179.0 (3) | O22—C21—C22—Cl4 | 3.8 (10) |
| O9—U—O5—N3 | −104 (3) | N21—C21—C22—Cl4 | −176.9 (6) |
| N4—U—O5—N3 | −173.9 (3) | O22—C21—C22—Cl6 | −124.2 (7) |
| U—O8—N4—O10 | −176.7 (6) | N21—C21—C22—Cl6 | 55.1 (8) |
| U—O8—N4—O9 | 2.8 (6) | O22—C21—C22—Cl5 | 122.7 (7) |
| O3—U—N4—O10 | −174 (100) | N21—C21—C22—Cl5 | −58.0 (8) |
| O4—U—N4—O10 | 6(9) | C52—C53—C54—C55 | −2.1 (18) |
| O21—U—N4—O10 | 96 (9) | C36—C31—C32—C33 | 2.7 (12) |
| O11—U—N4—O10 | −83 (9) | N12—C31—C32—C33 | −176.4 (8) |
| O6—U—N4—O10 | −82 (9) | C32—C31—C36—C35 | −3.8 (14) |
| O8—U—N4—O10 | 96 (9) | N12—C31—C36—C35 | 175.3 (9) |
| O9—U—N4—O10 | −87 (9) | O12—C11—C12—Cl1A | −127.1 (9) |
| O5—U—N4—O10 | 87 (9) | N11—C11—C12—Cl1A | 49.9 (9) |
| N3—U—N4—O10 | 20 (11) | O12—C11—C12—Cl2A | 1.9 (11) |
| O3—U—N4—O8 | 89.7 (4) | N11—C11—C12—Cl2A | 178.9 (8) |
| O4—U—N4—O8 | −90.7 (4) | O12—C11—C12—Cl3B | 147.6 (8) |
| O21—U—N4—O8 | −0.9 (4) | N11—C11—C12—Cl3B | −35.4 (9) |
| O11—U—N4—O8 | −179.7 (4) | O12—C11—C12—Cl2B | 22.8 (10) |
| O6—U—N4—O8 | −178.3 (4) | N11—C11—C12—Cl2B | −160.2 (8) |
| O9—U—N4—O8 | 177.0 (6) | O12—C11—C12—Cl3A | 121.4 (10) |
| O5—U—N4—O8 | −9.4 (6) | N11—C11—C12—Cl3A | −61.6 (9) |
| N3—U—N4—O8 | −76 (3) | O12—C11—C12—Cl1B | −92.2 (9) |
| O3—U—N4—O9 | −87.2 (4) | N11—C11—C12—Cl1B | 84.8 (8) |
| O4—U—N4—O9 | 92.3 (4) | C46—C41—C42—C43 | −3.6 (15) |
| O21—U—N4—O9 | −177.9 (4) | N13—C41—C42—C43 | 180.0 (9) |
| O11—U—N4—O9 | 3.4 (4) | C53—C54—C55—C56 | 1.7 (19) |
| O6—U—N4—O9 | 4.7 (6) | C51—C56—C55—C54 | 1.7 (16) |
| O8—U—N4—O9 | −177.0 (6) | C42—C41—C46—C45 | 1.0 (16) |
| O5—U—N4—O9 | 173.6 (4) | N13—C41—C46—C45 | 177.3 (9) |
| N3—U—N4—O9 | 107 (3) | C31—C36—C35—C34 | 2(2) |
| O21—P2—N22—C23B | 158.1 (17) | C41—C42—C43—C44 | 2.2 (18) |
| N23—P2—N22—C23B | 29.9 (18) | C42—C43—C44—C45 | 2(2) |
| N21—P2—N22—C23B | −86.1 (17) | C43—C44—C45—C46 | −4.5 (19) |
| O21—P2—N22—C61A | −45.1 (14) | C41—C46—C45—C44 | 3.0 (18) |
| N23—P2—N22—C61A | −173.3 (14) | C31—C32—C33—C34 | 0.2 (18) |
| N21—P2—N22—C61A | 70.7 (14) | C32—C33—C34—C35 | −2(2) |
| O21—P2—N22—C61B | −32.5 (13) | C36—C35—C34—C33 | 1(2) |
| N23—P2—N22—C61B | −160.7 (12) | C23B—N22—C61A—C62A | −110 (3) |
| N21—P2—N22—C61B | 83.3 (13) | C61B—N22—C61A—C62A | −3(12) |
| O21—P2—N22—C23A | 154.7 (12) | C23A—N22—C61A—C62A | −112 (3) |
| N23—P2—N22—C23A | 26.5 (12) | P2—N22—C61A—C62A | 89 (2) |
| N21—P2—N22—C23A | −89.5 (12) | C23B—N22—C61A—C66A | 66 (3) |
| O21—P2—N23—C51 | 105.4 (6) | C61B—N22—C61A—C66A | 173 (16) |
| N22—P2—N23—C51 | −131.5 (5) | C23A—N22—C61A—C66A | 64 (3) |
| N21—P2—N23—C51 | −10.3 (6) | P2—N22—C61A—C66A | −96 (3) |
| O21—P2—N23—C24 | −65.5 (8) | C66A—C61A—C62A—C63A | 0(2) |
| N22—P2—N23—C24 | 57.6 (8) | N22—C61A—C62A—C63A | 176 (3) |
| N21—P2—N23—C24 | 178.7 (7) | C61A—C62A—C63A—C64A | 2(3) |
| O11—P1—N13—C41 | −130.9 (6) | C62A—C63A—C64A—C65A | −6(5) |
| N12—P1—N13—C41 | 105.1 (6) | C63A—C64A—C65A—C66A | 8(6) |
| N11—P1—N13—C41 | −14.7 (7) | C62A—C61A—C66A—C65A | 3(4) |
| O11—P1—N13—C29 | 48.1 (7) | N22—C61A—C66A—C65A | −173 (3) |
| N12—P1—N13—C29 | −75.9 (7) | C64A—C65A—C66A—C61A | −6(5) |
| N11—P1—N13—C29 | 164.2 (7) | C63B—C62B—C61B—C66B | 0(2) |
| O10—N4—O9—U | 176.7 (5) | C63B—C62B—C61B—N22 | 177 (2) |
| O8—N4—O9—U | −2.8 (6) | C23B—N22—C61B—C62B | −95 (2) |
| O3—U—O9—N4 | 93.5 (4) | C61A—N22—C61B—C62B | −172 (16) |
| O4—U—O9—N4 | −86.6 (4) | C23A—N22—C61B—C62B | −94 (2) |
| O21—U—O9—N4 | 2.3 (4) | P2—N22—C61B—C62B | 94 (2) |
| O11—U—O9—N4 | −176.3 (4) | C23B—N22—C61B—C66B | 82 (3) |
| O6—U—O9—N4 | −177.4 (3) | C61A—N22—C61B—C66B | 5(13) |
| O8—U—O9—N4 | 1.7 (3) | C23A—N22—C61B—C66B | 83 (3) |
| O5—U—O9—N4 | −75 (3) | P2—N22—C61B—C66B | −90 (2) |
| N3—U—O9—N4 | −173.5 (4) | C61B—C62B—C63B—C64B | 5(2) |
| U—O5—N3—O7 | 177.9 (6) | C62B—C63B—C64B—C65B | −15 (4) |
| U—O5—N3—O6 | −0.3 (6) | C63B—C64B—C65B—C66B | 20 (5) |
| U—O6—N3—O7 | −177.9 (6) | C62B—C61B—C66B—C65B | 5(4) |
| U—O6—N3—O5 | 0.3 (6) | N22—C61B—C66B—C65B | −171 (3) |
| O3—U—N3—O7 | 143 (12) | C64B—C65B—C66B—C61B | −15 (5) |
| H··· | ||||
| N11—H11A···O6 | 0.86 | 2.06 | 2.811 (6) | 146 |
| N21—H21A···O8 | 0.86 | 2.11 | 2.861 (6) | 146 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| N11—H11 | 0.86 | 2.06 | 2.811 (6) | 146 |
| N21—H21 | 0.86 | 2.11 | 2.861 (6) | 146 |