| Literature DB >> 21201588 |
Craig C McLauchlan1, Alexander E Anderson.
Abstract
The title compound {systematic name: bis[1,4(η(5))-cyclo-penta-dien-yl]hexa-kis(μ-diethyl phosphito)-1:2κ(6)P:O;3:4κ(6)O:P-μ-ox-alato-2:3κ(4)O(1),O(2):O(1'),O(2')-dioxido-2κO,3κO-1,4-dicobalt(III)-2,3-divanadium(IV)}, [Co(2)V(2)(C(5)H(5))(2)(C(2)O(4))(C(4)H(10)O(3)P)(6)O(2)], is an oxalate-bridged dinuclear complex of oxovanadium(IV). The geometric center of the dimer lies on an inversion center. The unique Co atom is bonded to three P atoms and a cyclo-penta-dienyl ring. The unique V atom has six O atom neighbors in an approximately octa-hedral arrangement; the V-O bond trans to the V=O bond is significantly lengthened.Entities:
Year: 2008 PMID: 21201588 PMCID: PMC2960739 DOI: 10.1107/S1600536808024458
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Co2V2(C5H5)2(C2O4)(C4H10O3P)6O2] | |
| Monoclinic, | Melting point: dec. 473(1) K |
| Hall symbol: -C 2yc | Mo |
| Cell parameters from 9976 reflections | |
| θ = 5.0–63.5° | |
| µ = 1.17 mm−1 | |
| β = 117.412 (2)° | |
| Plate, green | |
| 0.63 × 0.33 × 0.06 mm |
| Bruker SMART APEX CCD diffractometer | 6845 independent reflections |
| Radiation source: fine-focus sealed tube | 5617 reflections with |
| graphite | |
| ω scans | θmax = 28.3°, θmin = 2.0° |
| Absorption correction: multi-scan ( | |
| 26145 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 | |
| 6845 reflections | (Δ/σ)max = 0.001 |
| 323 parameters | Δρmax = 0.70 e Å−3 |
| 0 restraints | Δρmin = −0.45 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 |
| V1 | 0.028671 (16) | 0.78146 (4) | 0.13941 (2) | 0.02455 (10) | |
| Co1 | 0.176050 (13) | 0.74072 (3) | 0.16646 (2) | 0.02774 (10) | |
| P1 | 0.11499 (3) | 0.60266 (6) | 0.12884 (4) | 0.02764 (14) | |
| P2 | 0.15939 (3) | 0.78092 (6) | 0.26021 (4) | 0.02754 (14) | |
| P3 | 0.11777 (3) | 0.87517 (6) | 0.09797 (4) | 0.02816 (15) | |
| O1 | 0.00650 (7) | 0.66231 (15) | 0.19874 (10) | 0.0286 (4) | |
| O2 | 0.01090 (7) | 0.90562 (15) | 0.20266 (10) | 0.0275 (4) | |
| C1 | 0.0000 | 0.7134 (3) | 0.2500 | 0.0245 (7) | |
| C2 | 0.0000 | 0.8544 (3) | 0.2500 | 0.0248 (7) | |
| O3 | −0.02642 (8) | 0.79215 (18) | 0.06448 (11) | 0.0379 (4) | |
| O1P | 0.05862 (7) | 0.64296 (16) | 0.10672 (11) | 0.0309 (4) | |
| O1A | 0.13253 (8) | 0.50150 (17) | 0.19333 (11) | 0.0375 (4) | |
| O2A | 0.11265 (8) | 0.5267 (2) | 0.05926 (12) | 0.0428 (5) | |
| C1A | 0.09433 (16) | 0.4095 (3) | 0.1891 (2) | 0.0563 (9) | |
| H1AA | 0.0580 | 0.4430 | 0.1613 | 0.068* | |
| H1AB | 0.0970 | 0.3382 | 0.1606 | 0.068* | |
| C2A | 0.1032 (2) | 0.3716 (6) | 0.2616 (3) | 0.105 (2) | |
| H2AA | 0.0772 | 0.3089 | 0.2567 | 0.157* | |
| H2AB | 0.0994 | 0.4415 | 0.2893 | 0.157* | |
| H2AC | 0.1392 | 0.3383 | 0.2892 | 0.157* | |
| C3A | 0.06647 (12) | 0.5172 (3) | −0.01328 (17) | 0.0377 (6) | |
| H3AA | 0.0420 | 0.5859 | −0.0204 | 0.045* | |
| H3AB | 0.0474 | 0.4402 | −0.0163 | 0.045* | |
| C4A | 0.08407 (16) | 0.5198 (4) | −0.0731 (2) | 0.0567 (9) | |
| H4AA | 0.0530 | 0.5145 | −0.1228 | 0.085* | |
| H4AB | 0.1077 | 0.4506 | −0.0663 | 0.085* | |
| H4AC | 0.1031 | 0.5960 | −0.0695 | 0.085* | |
| O2P | 0.10274 (7) | 0.76760 (15) | 0.24648 (10) | 0.0273 (4) | |
| O1B | 0.18059 (8) | 0.91352 (19) | 0.29463 (14) | 0.0444 (5) | |
| O2B | 0.19748 (8) | 0.6950 (2) | 0.32940 (11) | 0.0397 (5) | |
| C1B | 0.14588 (12) | 1.0097 (3) | 0.29536 (18) | 0.0403 (6) | |
| H1BA | 0.1091 | 0.9928 | 0.2566 | 0.048* | |
| H1BB | 0.1570 | 1.0881 | 0.2826 | 0.048* | |
| C2B | 0.1473 (2) | 1.0196 (5) | 0.3698 (3) | 0.0848 (15) | |
| H2BA | 0.1262 | 1.0900 | 0.3702 | 0.127* | |
| H2BB | 0.1841 | 1.0301 | 0.4087 | 0.127* | |
| H2BC | 0.1325 | 0.9454 | 0.3800 | 0.127* | |
| C3B | 0.18998 (16) | 0.6875 (4) | 0.3955 (2) | 0.0542 (9) | |
| H3BA | 0.1516 | 0.6810 | 0.3806 | 0.065* | |
| H3BB | 0.2038 | 0.7621 | 0.4261 | 0.065* | |
| C4B | 0.21855 (14) | 0.5785 (3) | 0.4410 (2) | 0.0535 (8) | |
| H4BA | 0.2162 | 0.5779 | 0.4884 | 0.080* | |
| H4BB | 0.2559 | 0.5818 | 0.4519 | 0.080* | |
| H4BC | 0.2022 | 0.5043 | 0.4124 | 0.080* | |
| O3P | 0.07192 (7) | 0.90314 (15) | 0.11549 (10) | 0.0287 (4) | |
| O1C | 0.09368 (8) | 0.83591 (19) | 0.01116 (11) | 0.0396 (5) | |
| O2C | 0.14763 (8) | 1.00128 (18) | 0.10399 (14) | 0.0469 (6) | |
| C1C | 0.04967 (13) | 0.9052 (3) | −0.04630 (17) | 0.0448 (7) | |
| H1CA | 0.0637 | 0.9746 | −0.0633 | 0.054* | |
| H1CB | 0.0270 | 0.9378 | −0.0248 | 0.054* | |
| C2C | 0.01791 (18) | 0.8257 (3) | −0.1108 (2) | 0.0791 (15) | |
| H2CA | −0.0109 | 0.8730 | −0.1500 | 0.119* | |
| H2CB | 0.0028 | 0.7590 | −0.0942 | 0.119* | |
| H2CC | 0.0406 | 0.7921 | −0.1312 | 0.119* | |
| C3C | 0.12391 (11) | 1.1198 (2) | 0.09617 (17) | 0.0337 (6) | |
| H3CA | 0.1295 | 1.1500 | 0.1460 | 0.040* | |
| H3CB | 0.0852 | 1.1152 | 0.0624 | 0.040* | |
| C4C | 0.14959 (12) | 1.2044 (3) | 0.0636 (2) | 0.0435 (7) | |
| H4CA | 0.1356 | 1.2869 | 0.0607 | 0.065* | |
| H4CB | 0.1419 | 1.1767 | 0.0129 | 0.065* | |
| H4CC | 0.1881 | 1.2048 | 0.0959 | 0.065* | |
| C32 | 0.24880 (11) | 0.6532 (3) | 0.22456 (19) | 0.0429 (7) | |
| H32 | 0.2576 | 0.5990 | 0.2656 | 0.051* | |
| C33 | 0.25670 (12) | 0.7796 (3) | 0.2303 (2) | 0.0523 (9) | |
| H33 | 0.2718 | 0.8255 | 0.2757 | 0.063* | |
| C34 | 0.23856 (15) | 0.8257 (4) | 0.1582 (3) | 0.0677 (13) | |
| H34 | 0.2394 | 0.9088 | 0.1455 | 0.081* | |
| C35 | 0.21853 (15) | 0.7274 (5) | 0.1062 (2) | 0.0696 (13) | |
| H35 | 0.2030 | 0.7329 | 0.0529 | 0.084* | |
| C36 | 0.22599 (12) | 0.6204 (3) | 0.1488 (2) | 0.0512 (8) | |
| H36 | 0.2170 | 0.5401 | 0.1293 | 0.061* |
| V1 | 0.0245 (2) | 0.02041 (19) | 0.0309 (2) | 0.00117 (15) | 0.01458 (17) | −0.00023 (15) |
| Co1 | 0.02674 (18) | 0.02207 (16) | 0.0390 (2) | 0.00463 (12) | 0.01910 (15) | 0.00510 (13) |
| P1 | 0.0314 (3) | 0.0205 (3) | 0.0336 (3) | 0.0033 (2) | 0.0171 (3) | −0.0002 (2) |
| P2 | 0.0246 (3) | 0.0253 (3) | 0.0329 (3) | −0.0018 (2) | 0.0135 (3) | −0.0004 (2) |
| P3 | 0.0298 (3) | 0.0221 (3) | 0.0388 (4) | 0.0052 (2) | 0.0212 (3) | 0.0071 (3) |
| O1 | 0.0325 (9) | 0.0175 (8) | 0.0429 (10) | −0.0020 (6) | 0.0236 (8) | −0.0026 (7) |
| O2 | 0.0315 (9) | 0.0180 (7) | 0.0401 (10) | 0.0001 (6) | 0.0225 (8) | 0.0006 (7) |
| C1 | 0.0187 (14) | 0.0185 (14) | 0.0369 (18) | 0.000 | 0.0133 (13) | 0.000 |
| C2 | 0.0228 (15) | 0.0172 (14) | 0.0347 (18) | 0.000 | 0.0135 (14) | 0.000 |
| O3 | 0.0314 (10) | 0.0348 (10) | 0.0419 (11) | 0.0034 (8) | 0.0120 (9) | 0.0001 (8) |
| O1P | 0.0326 (9) | 0.0253 (8) | 0.0389 (10) | −0.0003 (7) | 0.0198 (8) | −0.0065 (7) |
| O1A | 0.0433 (11) | 0.0241 (9) | 0.0435 (11) | −0.0020 (8) | 0.0185 (9) | 0.0064 (8) |
| O2A | 0.0421 (11) | 0.0443 (12) | 0.0396 (11) | 0.0125 (9) | 0.0168 (9) | −0.0094 (9) |
| C1A | 0.072 (2) | 0.0375 (17) | 0.058 (2) | −0.0188 (16) | 0.0285 (19) | 0.0034 (15) |
| C2A | 0.118 (4) | 0.133 (5) | 0.067 (3) | −0.067 (4) | 0.046 (3) | 0.004 (3) |
| C3A | 0.0390 (15) | 0.0340 (14) | 0.0414 (15) | −0.0036 (11) | 0.0196 (12) | −0.0083 (12) |
| C4A | 0.063 (2) | 0.068 (2) | 0.0461 (19) | −0.0039 (18) | 0.0307 (17) | −0.0128 (17) |
| O2P | 0.0272 (9) | 0.0254 (8) | 0.0306 (9) | −0.0009 (7) | 0.0144 (7) | 0.0002 (7) |
| O1B | 0.0359 (11) | 0.0347 (10) | 0.0677 (14) | −0.0093 (8) | 0.0282 (10) | −0.0180 (10) |
| O2B | 0.0324 (10) | 0.0495 (12) | 0.0351 (10) | 0.0043 (9) | 0.0138 (8) | 0.0074 (9) |
| C1B | 0.0377 (15) | 0.0304 (13) | 0.0549 (18) | −0.0032 (11) | 0.0232 (14) | −0.0044 (12) |
| C2B | 0.113 (4) | 0.084 (3) | 0.079 (3) | 0.037 (3) | 0.063 (3) | 0.007 (3) |
| C3B | 0.066 (2) | 0.054 (2) | 0.0445 (18) | 0.0085 (17) | 0.0268 (17) | 0.0085 (16) |
| C4B | 0.0481 (19) | 0.061 (2) | 0.0481 (19) | 0.0047 (16) | 0.0192 (15) | 0.0151 (16) |
| O3P | 0.0307 (9) | 0.0229 (8) | 0.0380 (10) | 0.0055 (7) | 0.0205 (8) | 0.0054 (7) |
| O1C | 0.0442 (11) | 0.0435 (11) | 0.0368 (11) | 0.0169 (9) | 0.0234 (9) | 0.0103 (9) |
| O2C | 0.0412 (11) | 0.0224 (9) | 0.0897 (18) | 0.0063 (8) | 0.0407 (12) | 0.0144 (10) |
| C1C | 0.0518 (18) | 0.0427 (16) | 0.0379 (16) | 0.0138 (14) | 0.0190 (14) | 0.0120 (13) |
| C2C | 0.076 (3) | 0.0360 (18) | 0.077 (3) | −0.0013 (18) | −0.006 (2) | 0.0073 (18) |
| C3C | 0.0346 (13) | 0.0231 (12) | 0.0444 (15) | 0.0049 (10) | 0.0191 (12) | 0.0044 (11) |
| C4C | 0.0403 (16) | 0.0289 (13) | 0.0593 (19) | 0.0005 (12) | 0.0212 (14) | 0.0141 (13) |
| C32 | 0.0280 (13) | 0.0427 (16) | 0.0587 (19) | 0.0143 (12) | 0.0206 (13) | 0.0114 (14) |
| C33 | 0.0287 (14) | 0.0448 (17) | 0.085 (3) | −0.0015 (13) | 0.0273 (16) | −0.0089 (17) |
| C34 | 0.047 (2) | 0.050 (2) | 0.132 (4) | 0.0157 (16) | 0.063 (2) | 0.034 (2) |
| C35 | 0.046 (2) | 0.122 (4) | 0.057 (2) | 0.035 (2) | 0.0371 (18) | 0.028 (2) |
| C36 | 0.0349 (16) | 0.0471 (18) | 0.076 (2) | 0.0107 (13) | 0.0294 (16) | −0.0104 (17) |
| V1—O3 | 1.594 (2) | C4A—H4AB | 0.9800 |
| V1—O1P | 1.9932 (18) | C4A—H4AC | 0.9800 |
| V1—O3P | 2.0145 (18) | O1B—C1B | 1.449 (3) |
| V1—O1 | 2.0490 (18) | O2B—C3B | 1.433 (4) |
| V1—O2 | 2.0727 (17) | C1B—C2B | 1.473 (5) |
| V1—O2P | 2.2077 (18) | C1B—H1BA | 0.9900 |
| Co1—C35 | 2.063 (3) | C1B—H1BB | 0.9900 |
| Co1—C34 | 2.077 (3) | C2B—H2BA | 0.9800 |
| Co1—C32 | 2.079 (3) | C2B—H2BB | 0.9800 |
| Co1—C36 | 2.082 (3) | C2B—H2BC | 0.9800 |
| Co1—C33 | 2.087 (3) | C3B—C4B | 1.496 (5) |
| Co1—P1 | 2.1597 (8) | C3B—H3BA | 0.9900 |
| Co1—P3 | 2.1684 (7) | C3B—H3BB | 0.9900 |
| Co1—P2 | 2.1774 (8) | C4B—H4BA | 0.9800 |
| P1—O1P | 1.5156 (19) | C4B—H4BB | 0.9800 |
| P1—O2A | 1.596 (2) | C4B—H4BC | 0.9800 |
| P1—O1A | 1.597 (2) | O1C—C1C | 1.461 (3) |
| P2—O2P | 1.5075 (18) | O2C—C3C | 1.441 (3) |
| P2—O1B | 1.604 (2) | C1C—C2C | 1.471 (5) |
| P2—O2B | 1.610 (2) | C1C—H1CA | 0.9900 |
| P3—O3P | 1.5257 (18) | C1C—H1CB | 0.9900 |
| P3—O2C | 1.599 (2) | C2C—H2CA | 0.9800 |
| P3—O1C | 1.603 (2) | C2C—H2CB | 0.9800 |
| O1—C1 | 1.253 (2) | C2C—H2CC | 0.9800 |
| O2—C2 | 1.255 (2) | C3C—C4C | 1.501 (4) |
| C1—O1i | 1.254 (2) | C3C—H3CA | 0.9900 |
| C1—C2 | 1.549 (4) | C3C—H3CB | 0.9900 |
| C2—O2i | 1.255 (2) | C4C—H4CA | 0.9800 |
| O1A—C1A | 1.455 (4) | C4C—H4CB | 0.9800 |
| O2A—C3A | 1.442 (3) | C4C—H4CC | 0.9800 |
| C1A—C2A | 1.415 (5) | C32—C36 | 1.391 (5) |
| C1A—H1AA | 0.9900 | C32—C33 | 1.402 (5) |
| C1A—H1AB | 0.9900 | C32—H32 | 0.9500 |
| C2A—H2AA | 0.9800 | C33—C34 | 1.383 (6) |
| C2A—H2AB | 0.9800 | C33—H33 | 0.9500 |
| C2A—H2AC | 0.9800 | C34—C35 | 1.422 (7) |
| C3A—C4A | 1.492 (4) | C34—H34 | 0.9500 |
| C3A—H3AA | 0.9900 | C35—C36 | 1.409 (6) |
| C3A—H3AB | 0.9900 | C35—H35 | 0.9500 |
| C4A—H4AA | 0.9800 | C36—H36 | 0.9500 |
| O3—V1—O1P | 97.46 (9) | C3A—C4A—H4AA | 109.5 |
| O3—V1—O3P | 99.73 (9) | C3A—C4A—H4AB | 109.5 |
| O1P—V1—O3P | 91.75 (7) | H4AA—C4A—H4AB | 109.5 |
| O3—V1—O1 | 99.26 (9) | C3A—C4A—H4AC | 109.5 |
| O1P—V1—O1 | 89.59 (7) | H4AA—C4A—H4AC | 109.5 |
| O3P—V1—O1 | 160.61 (8) | H4AB—C4A—H4AC | 109.5 |
| O3—V1—O2 | 96.64 (9) | P2—O2P—V1 | 128.96 (11) |
| O1P—V1—O2 | 164.10 (8) | C1B—O1B—P2 | 122.94 (18) |
| O3P—V1—O2 | 93.07 (7) | C3B—O2B—P2 | 119.9 (2) |
| O1—V1—O2 | 80.91 (7) | O1B—C1B—C2B | 111.2 (3) |
| O3—V1—O2P | 177.13 (9) | O1B—C1B—H1BA | 109.4 |
| O1P—V1—O2P | 84.59 (7) | C2B—C1B—H1BA | 109.4 |
| O3P—V1—O2P | 82.17 (7) | O1B—C1B—H1BB | 109.4 |
| O1—V1—O2P | 78.71 (7) | C2B—C1B—H1BB | 109.4 |
| O2—V1—O2P | 81.07 (7) | H1BA—C1B—H1BB | 108.0 |
| C35—Co1—C34 | 40.17 (18) | C1B—C2B—H2BA | 109.5 |
| C35—Co1—C32 | 66.22 (14) | C1B—C2B—H2BB | 109.5 |
| C34—Co1—C32 | 65.66 (14) | H2BA—C2B—H2BB | 109.5 |
| C35—Co1—C36 | 39.74 (16) | C1B—C2B—H2BC | 109.5 |
| C34—Co1—C36 | 66.39 (15) | H2BA—C2B—H2BC | 109.5 |
| C32—Co1—C36 | 39.06 (14) | H2BB—C2B—H2BC | 109.5 |
| C35—Co1—C33 | 66.45 (17) | O2B—C3B—C4B | 109.7 (3) |
| C34—Co1—C33 | 38.81 (17) | O2B—C3B—H3BA | 109.7 |
| C32—Co1—C33 | 39.33 (13) | C4B—C3B—H3BA | 109.7 |
| C36—Co1—C33 | 66.01 (14) | O2B—C3B—H3BB | 109.7 |
| C35—Co1—P1 | 109.73 (16) | C4B—C3B—H3BB | 109.7 |
| C34—Co1—P1 | 149.89 (15) | H3BA—C3B—H3BB | 108.2 |
| C32—Co1—P1 | 107.49 (9) | C3B—C4B—H4BA | 109.5 |
| C36—Co1—P1 | 89.69 (10) | C3B—C4B—H4BB | 109.5 |
| C33—Co1—P1 | 146.52 (10) | H4BA—C4B—H4BB | 109.5 |
| C35—Co1—P3 | 99.24 (11) | C3B—C4B—H4BC | 109.5 |
| C34—Co1—P3 | 94.27 (10) | H4BA—C4B—H4BC | 109.5 |
| C32—Co1—P3 | 159.92 (9) | H4BB—C4B—H4BC | 109.5 |
| C36—Co1—P3 | 134.90 (11) | P3—O3P—V1 | 126.68 (10) |
| C33—Co1—P3 | 123.29 (10) | C1C—O1C—P3 | 119.63 (19) |
| P1—Co1—P3 | 90.13 (3) | C3C—O2C—P3 | 124.74 (17) |
| C35—Co1—P2 | 158.80 (14) | O1C—C1C—C2C | 109.7 (3) |
| C34—Co1—P2 | 120.59 (15) | O1C—C1C—H1CA | 109.7 |
| C32—Co1—P2 | 99.57 (10) | C2C—C1C—H1CA | 109.7 |
| C36—Co1—P2 | 135.08 (11) | O1C—C1C—H1CB | 109.7 |
| C33—Co1—P2 | 92.52 (11) | C2C—C1C—H1CB | 109.7 |
| P1—Co1—P2 | 89.13 (3) | H1CA—C1C—H1CB | 108.2 |
| P3—Co1—P2 | 90.02 (3) | C1C—C2C—H2CA | 109.5 |
| O1P—P1—O2A | 106.46 (11) | C1C—C2C—H2CB | 109.5 |
| O1P—P1—O1A | 109.47 (11) | H2CA—C2C—H2CB | 109.5 |
| O2A—P1—O1A | 102.22 (12) | C1C—C2C—H2CC | 109.5 |
| O1P—P1—Co1 | 117.76 (8) | H2CA—C2C—H2CC | 109.5 |
| O2A—P1—Co1 | 112.03 (9) | H2CB—C2C—H2CC | 109.5 |
| O1A—P1—Co1 | 107.79 (8) | O2C—C3C—C4C | 108.1 (2) |
| O2P—P2—O1B | 108.90 (10) | O2C—C3C—H3CA | 110.1 |
| O2P—P2—O2B | 109.71 (11) | C4C—C3C—H3CA | 110.1 |
| O1B—P2—O2B | 101.13 (12) | O2C—C3C—H3CB | 110.1 |
| O2P—P2—Co1 | 117.32 (8) | C4C—C3C—H3CB | 110.1 |
| O1B—P2—Co1 | 111.45 (9) | H3CA—C3C—H3CB | 108.4 |
| O2B—P2—Co1 | 107.08 (8) | C3C—C4C—H4CA | 109.5 |
| O3P—P3—O2C | 106.64 (10) | C3C—C4C—H4CB | 109.5 |
| O3P—P3—O1C | 108.57 (11) | H4CA—C4C—H4CB | 109.5 |
| O2C—P3—O1C | 105.17 (13) | C3C—C4C—H4CC | 109.5 |
| O3P—P3—Co1 | 118.37 (7) | H4CA—C4C—H4CC | 109.5 |
| O2C—P3—Co1 | 108.60 (8) | H4CB—C4C—H4CC | 109.5 |
| O1C—P3—Co1 | 108.72 (8) | C36—C32—C33 | 108.8 (3) |
| C1—O1—V1 | 112.73 (16) | C36—C32—Co1 | 70.59 (17) |
| C2—O2—V1 | 112.22 (17) | C33—C32—Co1 | 70.64 (17) |
| O1—C1—O1i | 126.8 (3) | C36—C32—H32 | 125.6 |
| O1—C1—C2 | 116.59 (15) | C33—C32—H32 | 125.6 |
| O1i—C1—C2 | 116.59 (15) | Co1—C32—H32 | 124.8 |
| O2—C2—O2i | 126.8 (3) | C34—C33—C32 | 108.0 (4) |
| O2—C2—C1 | 116.60 (15) | C34—C33—Co1 | 70.2 (2) |
| O2i—C2—C1 | 116.60 (15) | C32—C33—Co1 | 70.03 (17) |
| P1—O1P—V1 | 132.76 (11) | C34—C33—H33 | 126.0 |
| C1A—O1A—P1 | 119.3 (2) | C32—C33—H33 | 126.0 |
| C3A—O2A—P1 | 124.59 (18) | Co1—C33—H33 | 125.3 |
| C2A—C1A—O1A | 111.6 (3) | C33—C34—C35 | 108.3 (3) |
| C2A—C1A—H1AA | 109.3 | C33—C34—Co1 | 70.99 (19) |
| O1A—C1A—H1AA | 109.3 | C35—C34—Co1 | 69.4 (2) |
| C2A—C1A—H1AB | 109.3 | C33—C34—H34 | 125.8 |
| O1A—C1A—H1AB | 109.3 | C35—C34—H34 | 125.8 |
| H1AA—C1A—H1AB | 108.0 | Co1—C34—H34 | 125.4 |
| C1A—C2A—H2AA | 109.5 | C36—C35—C34 | 107.1 (3) |
| C1A—C2A—H2AB | 109.5 | C36—C35—Co1 | 70.88 (19) |
| H2AA—C2A—H2AB | 109.5 | C34—C35—Co1 | 70.5 (2) |
| C1A—C2A—H2AC | 109.5 | C36—C35—H35 | 126.4 |
| H2AA—C2A—H2AC | 109.5 | C34—C35—H35 | 126.4 |
| H2AB—C2A—H2AC | 109.5 | Co1—C35—H35 | 123.9 |
| O2A—C3A—C4A | 108.6 (3) | C32—C36—C35 | 107.8 (3) |
| O2A—C3A—H3AA | 110.0 | C32—C36—Co1 | 70.35 (17) |
| C4A—C3A—H3AA | 110.0 | C35—C36—Co1 | 69.38 (19) |
| O2A—C3A—H3AB | 110.0 | C32—C36—H36 | 126.1 |
| C4A—C3A—H3AB | 110.0 | C35—C36—H36 | 126.1 |
| H3AA—C3A—H3AB | 108.3 | Co1—C36—H36 | 125.7 |
| C35—Co1—P1—O1P | −128.14 (15) | O3P—V1—O2P—P2 | −32.47 (13) |
| C34—Co1—P1—O1P | −127.0 (2) | O1—V1—O2P—P2 | 150.71 (14) |
| C32—Co1—P1—O1P | 161.50 (13) | O2—V1—O2P—P2 | −126.85 (14) |
| C36—Co1—P1—O1P | −163.17 (14) | O2P—P2—O1B—C1B | −12.3 (3) |
| C33—Co1—P1—O1P | 155.0 (2) | O2B—P2—O1B—C1B | −127.8 (2) |
| P3—Co1—P1—O1P | −28.28 (9) | Co1—P2—O1B—C1B | 118.7 (2) |
| P2—Co1—P1—O1P | 61.74 (9) | O2P—P2—O2B—C3B | −42.2 (3) |
| C35—Co1—P1—O2A | −4.20 (15) | O1B—P2—O2B—C3B | 72.7 (3) |
| C34—Co1—P1—O2A | −3.1 (2) | Co1—P2—O2B—C3B | −170.6 (2) |
| C32—Co1—P1—O2A | −74.56 (13) | P2—O1B—C1B—C2B | 99.8 (4) |
| C36—Co1—P1—O2A | −39.23 (14) | P2—O2B—C3B—C4B | 163.9 (2) |
| C33—Co1—P1—O2A | −81.1 (2) | O2C—P3—O3P—V1 | −165.84 (14) |
| P3—Co1—P1—O2A | 95.66 (9) | O1C—P3—O3P—V1 | 81.30 (15) |
| P2—Co1—P1—O2A | −174.32 (9) | Co1—P3—O3P—V1 | −43.18 (16) |
| C35—Co1—P1—O1A | 107.49 (14) | O3—V1—O3P—P3 | −109.89 (15) |
| C34—Co1—P1—O1A | 108.6 (2) | O1P—V1—O3P—P3 | −12.01 (14) |
| C32—Co1—P1—O1A | 37.13 (13) | O1—V1—O3P—P3 | 81.7 (3) |
| C36—Co1—P1—O1A | 72.46 (14) | O2—V1—O3P—P3 | 152.83 (14) |
| C33—Co1—P1—O1A | 30.6 (2) | O2P—V1—O3P—P3 | 72.28 (14) |
| P3—Co1—P1—O1A | −152.64 (9) | O3P—P3—O1C—C1C | 44.0 (2) |
| P2—Co1—P1—O1A | −62.63 (9) | O2C—P3—O1C—C1C | −69.8 (2) |
| C35—Co1—P2—O2P | 173.1 (4) | Co1—P3—O1C—C1C | 174.1 (2) |
| C34—Co1—P2—O2P | 151.66 (14) | O3P—P3—O2C—C3C | −22.9 (3) |
| C32—Co1—P2—O2P | −141.04 (12) | O1C—P3—O2C—C3C | 92.3 (3) |
| C36—Co1—P2—O2P | −122.13 (16) | Co1—P3—O2C—C3C | −151.5 (2) |
| C33—Co1—P2—O2P | −179.98 (13) | P3—O1C—C1C—C2C | −152.3 (3) |
| P1—Co1—P2—O2P | −33.44 (8) | P3—O2C—C3C—C4C | −149.4 (2) |
| P3—Co1—P2—O2P | 56.69 (8) | C35—Co1—C32—C36 | −37.8 (2) |
| C35—Co1—P2—O1B | 46.6 (4) | C34—Co1—C32—C36 | −81.9 (3) |
| C34—Co1—P2—O1B | 25.17 (15) | C33—Co1—C32—C36 | −119.1 (3) |
| C32—Co1—P2—O1B | 92.47 (13) | P1—Co1—C32—C36 | 66.6 (2) |
| C36—Co1—P2—O1B | 111.37 (17) | P3—Co1—C32—C36 | −83.8 (3) |
| C33—Co1—P2—O1B | 53.52 (14) | P2—Co1—C32—C36 | 158.71 (19) |
| P1—Co1—P2—O1B | −159.94 (9) | C35—Co1—C32—C33 | 81.3 (3) |
| P3—Co1—P2—O1B | −69.81 (9) | C34—Co1—C32—C33 | 37.1 (2) |
| C35—Co1—P2—O2B | −63.1 (4) | C36—Co1—C32—C33 | 119.1 (3) |
| C34—Co1—P2—O2B | −84.57 (15) | P1—Co1—C32—C33 | −174.3 (2) |
| C32—Co1—P2—O2B | −17.27 (13) | P3—Co1—C32—C33 | 35.3 (4) |
| C36—Co1—P2—O2B | 1.64 (17) | P2—Co1—C32—C33 | −82.2 (2) |
| C33—Co1—P2—O2B | −56.21 (13) | C36—C32—C33—C34 | 0.3 (3) |
| P1—Co1—P2—O2B | 90.33 (9) | Co1—C32—C33—C34 | −60.2 (2) |
| P3—Co1—P2—O2B | −179.54 (9) | C36—C32—C33—Co1 | 60.5 (2) |
| C35—Co1—P3—O3P | 172.13 (18) | C35—Co1—C33—C34 | 38.0 (2) |
| C34—Co1—P3—O3P | −147.70 (17) | C32—Co1—C33—C34 | 118.7 (3) |
| C32—Co1—P3—O3P | −146.0 (3) | C36—Co1—C33—C34 | 81.6 (3) |
| C36—Co1—P3—O3P | 151.80 (16) | P1—Co1—C33—C34 | 128.5 (2) |
| C33—Co1—P3—O3P | −120.05 (16) | P3—Co1—C33—C34 | −47.6 (3) |
| P1—Co1—P3—O3P | 62.11 (9) | P2—Co1—C33—C34 | −139.3 (2) |
| P2—Co1—P3—O3P | −27.02 (9) | C35—Co1—C33—C32 | −80.7 (2) |
| C35—Co1—P3—O2C | −66.20 (18) | C34—Co1—C33—C32 | −118.7 (3) |
| C34—Co1—P3—O2C | −26.03 (18) | C36—Co1—C33—C32 | −37.1 (2) |
| C32—Co1—P3—O2C | −24.4 (3) | P1—Co1—C33—C32 | 9.8 (3) |
| C36—Co1—P3—O2C | −86.53 (17) | P3—Co1—C33—C32 | −166.27 (17) |
| C33—Co1—P3—O2C | 1.62 (17) | P2—Co1—C33—C32 | 102.1 (2) |
| P1—Co1—P3—O2C | −176.22 (10) | C32—C33—C34—C35 | 0.5 (4) |
| P2—Co1—P3—O2C | 94.65 (10) | Co1—C33—C34—C35 | −59.6 (2) |
| C35—Co1—P3—O1C | 47.72 (18) | C32—C33—C34—Co1 | 60.1 (2) |
| C34—Co1—P3—O1C | 87.88 (17) | C35—Co1—C34—C33 | −119.0 (3) |
| C32—Co1—P3—O1C | 89.6 (3) | C32—Co1—C34—C33 | −37.6 (2) |
| C36—Co1—P3—O1C | 27.39 (17) | C36—Co1—C34—C33 | −80.5 (2) |
| C33—Co1—P3—O1C | 115.54 (16) | P1—Co1—C34—C33 | −120.6 (3) |
| P1—Co1—P3—O1C | −62.30 (9) | P3—Co1—C34—C33 | 141.8 (2) |
| P2—Co1—P3—O1C | −151.43 (9) | P2—Co1—C34—C33 | 49.2 (2) |
| O3—V1—O1—C1 | −104.15 (14) | C32—Co1—C34—C35 | 81.4 (2) |
| O1P—V1—O1—C1 | 158.36 (13) | C36—Co1—C34—C35 | 38.4 (2) |
| O3P—V1—O1—C1 | 64.2 (3) | C33—Co1—C34—C35 | 119.0 (3) |
| O2—V1—O1—C1 | −8.84 (12) | P1—Co1—C34—C35 | −1.6 (4) |
| O2P—V1—O1—C1 | 73.79 (12) | P3—Co1—C34—C35 | −99.3 (2) |
| O3—V1—O2—C2 | 103.96 (13) | P2—Co1—C34—C35 | 168.18 (19) |
| O1P—V1—O2—C2 | −48.4 (3) | C33—C34—C35—C36 | −1.2 (4) |
| O3P—V1—O2—C2 | −155.87 (12) | Co1—C34—C35—C36 | −61.8 (2) |
| O1—V1—O2—C2 | 5.59 (11) | C33—C34—C35—Co1 | 60.6 (2) |
| O2P—V1—O2—C2 | −74.30 (12) | C34—Co1—C35—C36 | 117.0 (3) |
| V1—O1—C1—O1i | −169.74 (13) | C32—Co1—C35—C36 | 37.1 (2) |
| V1—O1—C1—C2 | 10.26 (13) | C33—Co1—C35—C36 | 80.2 (2) |
| V1—O2—C2—O2i | 177.97 (13) | P1—Co1—C35—C36 | −63.9 (2) |
| V1—O2—C2—C1 | −2.03 (13) | P3—Co1—C35—C36 | −157.4 (2) |
| O1—C1—C2—O2 | −5.76 (13) | P2—Co1—C35—C36 | 87.8 (5) |
| O1i—C1—C2—O2 | 174.24 (13) | C32—Co1—C35—C34 | −79.8 (2) |
| O1—C1—C2—O2i | 174.24 (13) | C36—Co1—C35—C34 | −117.0 (3) |
| O1i—C1—C2—O2i | −5.76 (13) | C33—Co1—C35—C34 | −36.7 (2) |
| O2A—P1—O1P—V1 | −155.10 (15) | P1—Co1—C35—C34 | 179.1 (2) |
| O1A—P1—O1P—V1 | 95.11 (16) | P3—Co1—C35—C34 | 85.7 (2) |
| Co1—P1—O1P—V1 | −28.41 (18) | P2—Co1—C35—C34 | −29.2 (5) |
| O3—V1—O1P—P1 | 153.83 (16) | C33—C32—C36—C35 | −1.1 (3) |
| O3P—V1—O1P—P1 | 53.77 (16) | Co1—C32—C36—C35 | 59.5 (2) |
| O1—V1—O1P—P1 | −106.88 (16) | C33—C32—C36—Co1 | −60.6 (2) |
| O2—V1—O1P—P1 | −53.9 (4) | C34—C35—C36—C32 | 1.4 (4) |
| O2P—V1—O1P—P1 | −28.19 (16) | Co1—C35—C36—C32 | −60.1 (2) |
| O1P—P1—O1A—C1A | 39.5 (3) | C34—C35—C36—Co1 | 61.5 (2) |
| O2A—P1—O1A—C1A | −73.0 (3) | C35—Co1—C36—C32 | 118.8 (3) |
| Co1—P1—O1A—C1A | 168.8 (2) | C34—Co1—C36—C32 | 79.9 (2) |
| O1P—P1—O2A—C3A | 8.5 (3) | C33—Co1—C36—C32 | 37.3 (2) |
| O1A—P1—O2A—C3A | 123.3 (2) | P1—Co1—C36—C32 | −118.93 (19) |
| Co1—P1—O2A—C3A | −121.6 (2) | P3—Co1—C36—C32 | 151.20 (16) |
| P1—O1A—C1A—C2A | −148.7 (4) | P2—Co1—C36—C32 | −30.5 (3) |
| P1—O2A—C3A—C4A | 141.6 (3) | C34—Co1—C36—C35 | −38.9 (3) |
| O1B—P2—O2P—V1 | 101.82 (15) | C32—Co1—C36—C35 | −118.8 (3) |
| O2B—P2—O2P—V1 | −148.35 (13) | C33—Co1—C36—C35 | −81.4 (3) |
| Co1—P2—O2P—V1 | −25.91 (15) | P1—Co1—C36—C35 | 122.3 (2) |
| O3—V1—O2P—P2 | −164.0 (17) | P3—Co1—C36—C35 | 32.4 (3) |
| O1P—V1—O2P—P2 | 60.05 (13) | P2—Co1—C36—C35 | −149.2 (2) |
| V1—O3 | 1.594 (2) |
| V1—O1 | 1.9932 (18) |
| V1—O3 | 2.0145 (18) |
| V1—O1 | 2.0490 (18) |
| V1—O2 | 2.0727 (17) |
| V1—O2 | 2.2077 (18) |
| O3—V1—O1 | 97.46 (9) |
| O3—V1—O3 | 99.73 (9) |
| O1 | 91.75 (7) |
| O3—V1—O1 | 99.26 (9) |
| O1 | 89.59 (7) |
| O3 | 160.61 (8) |
| O3—V1—O2 | 96.64 (9) |
| O1 | 164.10 (8) |
| O3 | 93.07 (7) |
| O1—V1—O2 | 80.91 (7) |
| O3—V1—O2 | 177.13 (9) |
| O1 | 84.59 (7) |
| O3 | 82.17 (7) |
| O1—V1—O2 | 78.71 (7) |
| O2—V1—O2 | 81.07 (7) |
| C1—O1—V1 | 112.73 (16) |
| C2—O2—V1 | 112.22 (17) |
Symmetry code: (i) .