| Literature DB >> 21579041 |
J Muthukumaran, M Kannan, A Vanitha, Bala Manimaran, R Krishna.
Abstract
The title compound, [Re(2)(C(6)H(5)Te)(2)(CO)(8)], crystallizes with two mol-ecules in the asymmetric unit, in which two Re atoms are coordinated in a slightly distorted octa-hedral environment and are bridged by two Te atoms, which show a distorted trigonal-pyramidal geometry. The torsion angles for the Te-Re-Te-Re sequence of atoms are 19.29 (18) and 16.54 (16)° in the two mol-ecules. Thus, the Re-Te four-membered rings in the two mol-ecules deviate significantly from planarity. Two intra-molecular C-H⋯O inter-actions occur in one of the mol-ecules. Te-Te [4.0551 (10) Å] inter-actions between the two mol-ecules and weak inter-molecular C-H⋯O inter-actions stabilize the crystal packing.Entities:
Year: 2010 PMID: 21579041 PMCID: PMC2979195 DOI: 10.1107/S1600536810014297
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Re2(C6H5Te)2(CO)8] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 15161 reflections | |
| θ = 2.9–32.6° | |
| µ = 12.32 mm−1 | |
| α = 106.593 (7)° | |
| β = 99.932 (9)° | Block, yellow |
| γ = 105.572 (10)° | 0.32 × 0.28 × 0.22 mm |
| Oxford Diffraction Xcalibur-S diffractometer | 8557 independent reflections |
| Radiation source: fine-focus sealed tube | 7388 reflections with |
| graphite | |
| Detector resolution: 15.9948 pixels mm-1 | θmax = 25.0°, θmin = 2.9° |
| ω scans | |
| Absorption correction: multi-scan ( | |
| 20451 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 | |
| 8557 reflections | (Δ/σ)max = 0.001 |
| 577 parameters | Δρmax = 2.27 e Å−3 |
| 0 restraints | Δρmin = −2.55 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 |
| Te1A | 0.29742 (5) | 0.72479 (4) | 0.50093 (3) | 0.01642 (12) | |
| Te2A | 0.36142 (5) | 0.60877 (4) | 0.30316 (3) | 0.01644 (12) | |
| Te1B | 0.35375 (5) | 0.18505 (4) | 0.27409 (3) | 0.01525 (12) | |
| Te2B | 0.20684 (5) | 0.33550 (4) | 0.18717 (3) | 0.01658 (12) | |
| Re1A | 0.09628 (3) | 0.60064 (2) | 0.347709 (19) | 0.01676 (9) | |
| Re2A | 0.53570 (3) | 0.77358 (2) | 0.431685 (18) | 0.01559 (9) | |
| Re1B | 0.06866 (3) | 0.15893 (2) | 0.181187 (18) | 0.01653 (9) | |
| Re2B | 0.49743 (3) | 0.33530 (2) | 0.233289 (18) | 0.01520 (9) | |
| O1A | 0.1349 (9) | 0.4515 (6) | 0.4255 (5) | 0.058 (2) | |
| O2A | −0.0895 (7) | 0.4533 (5) | 0.1750 (4) | 0.0373 (17) | |
| O3A | −0.1911 (7) | 0.5972 (5) | 0.3997 (4) | 0.0400 (18) | |
| O4A | 0.0784 (7) | 0.7629 (5) | 0.2859 (4) | 0.0307 (15) | |
| O5A | 0.6778 (7) | 0.6705 (5) | 0.5350 (4) | 0.0287 (14) | |
| O6A | 0.7801 (7) | 0.7870 (5) | 0.3370 (4) | 0.0345 (16) | |
| O7A | 0.7103 (7) | 0.9560 (5) | 0.5780 (4) | 0.0401 (17) | |
| O8A | 0.3865 (8) | 0.8824 (5) | 0.3393 (5) | 0.0428 (18) | |
| O1B | 0.1637 (7) | 0.0630 (5) | 0.0225 (4) | 0.0319 (16) | |
| O2B | −0.0790 (8) | −0.0329 (5) | 0.1846 (4) | 0.0408 (17) | |
| O3B | −0.2190 (7) | 0.1679 (6) | 0.0799 (4) | 0.046 (2) | |
| O4B | 0.0069 (7) | 0.2418 (5) | 0.3568 (4) | 0.0308 (15) | |
| O5B | 0.4357 (7) | 0.2119 (5) | 0.0444 (4) | 0.0329 (16) | |
| O6B | 0.8091 (7) | 0.3224 (6) | 0.2827 (5) | 0.051 (2) | |
| O7B | 0.6296 (7) | 0.5079 (5) | 0.1913 (4) | 0.0344 (16) | |
| O8B | 0.5370 (8) | 0.4615 (5) | 0.4184 (4) | 0.048 (2) | |
| C1A | 0.1194 (10) | 0.5057 (7) | 0.3980 (6) | 0.033 (2) | |
| C2A | −0.0188 (9) | 0.5080 (7) | 0.2378 (6) | 0.025 (2) | |
| C3A | −0.0839 (9) | 0.6001 (6) | 0.3829 (5) | 0.024 (2) | |
| C4A | 0.0871 (8) | 0.7024 (6) | 0.3063 (5) | 0.0190 (19) | |
| C5A | 0.6271 (8) | 0.7069 (6) | 0.4968 (5) | 0.0198 (18) | |
| C6A | 0.6887 (9) | 0.7836 (7) | 0.3733 (5) | 0.023 (2) | |
| C7A | 0.6431 (9) | 0.8870 (7) | 0.5239 (5) | 0.028 (2) | |
| C8A | 0.4374 (9) | 0.8407 (7) | 0.3710 (5) | 0.026 (2) | |
| C9A | 0.2264 (8) | 0.8398 (6) | 0.5416 (5) | 0.0168 (17) | |
| C10A | 0.0903 (9) | 0.8416 (7) | 0.5024 (5) | 0.025 (2) | |
| H10A | 0.0299 | 0.7943 | 0.4513 | 0.030* | |
| C11A | 0.0440 (10) | 0.9135 (6) | 0.5392 (5) | 0.026 (2) | |
| H11A | −0.0493 | 0.9138 | 0.5128 | 0.031* | |
| C12A | 0.1285 (10) | 0.9834 (7) | 0.6117 (6) | 0.030 (2) | |
| H12A | 0.0944 | 1.0312 | 0.6364 | 0.036* | |
| C13A | 0.2672 (10) | 0.9826 (7) | 0.6488 (6) | 0.032 (2) | |
| H13A | 0.3292 | 1.0317 | 0.6982 | 0.038* | |
| C14A | 0.3154 (10) | 0.9112 (7) | 0.6144 (5) | 0.029 (2) | |
| H14A | 0.4092 | 0.9114 | 0.6406 | 0.035* | |
| C15A | 0.3338 (9) | 0.6387 (6) | 0.1869 (5) | 0.0183 (17) | |
| C16A | 0.4588 (9) | 0.6670 (7) | 0.1605 (5) | 0.027 (2) | |
| H16A | 0.5529 | 0.6779 | 0.1956 | 0.032* | |
| C17A | 0.4462 (10) | 0.6795 (7) | 0.0813 (5) | 0.027 (2) | |
| H17A | 0.5316 | 0.6999 | 0.0635 | 0.033* | |
| C18A | 0.3091 (10) | 0.6620 (7) | 0.0303 (5) | 0.029 (2) | |
| H18A | 0.3004 | 0.6699 | −0.0230 | 0.035* | |
| C19A | 0.1826 (10) | 0.6327 (7) | 0.0560 (5) | 0.028 (2) | |
| H19A | 0.0883 | 0.6196 | 0.0200 | 0.034* | |
| C20A | 0.1964 (9) | 0.6228 (6) | 0.1357 (5) | 0.024 (2) | |
| H20A | 0.1112 | 0.6051 | 0.1545 | 0.029* | |
| C1B | 0.1288 (9) | 0.1010 (6) | 0.0792 (5) | 0.0227 (19) | |
| C2B | −0.0234 (9) | 0.0381 (6) | 0.1836 (5) | 0.0220 (19) | |
| C3B | −0.1129 (9) | 0.1624 (7) | 0.1170 (5) | 0.026 (2) | |
| C4B | 0.0294 (8) | 0.2123 (6) | 0.2923 (5) | 0.0189 (18) | |
| C5B | 0.4600 (9) | 0.2567 (6) | 0.1133 (5) | 0.0206 (19) | |
| C6B | 0.6923 (10) | 0.3255 (7) | 0.2651 (5) | 0.027 (2) | |
| C7B | 0.5788 (9) | 0.4447 (7) | 0.2070 (5) | 0.023 (2) | |
| C8B | 0.5214 (9) | 0.4138 (7) | 0.3521 (5) | 0.027 (2) | |
| C9B | 0.3979 (8) | 0.0687 (6) | 0.2002 (5) | 0.0172 (17) | |
| C10B | 0.5088 (10) | 0.0756 (7) | 0.1601 (5) | 0.028 (2) | |
| H10B | 0.5667 | 0.1334 | 0.1621 | 0.034* | |
| C11B | 0.5364 (11) | −0.0016 (8) | 0.1168 (6) | 0.037 (2) | |
| H11B | 0.6135 | 0.0035 | 0.0897 | 0.044* | |
| C12B | 0.4503 (12) | −0.0871 (7) | 0.1132 (6) | 0.036 (2) | |
| H12B | 0.4691 | −0.1401 | 0.0840 | 0.044* | |
| C13B | 0.3373 (11) | −0.0936 (7) | 0.1526 (6) | 0.032 (2) | |
| H13B | 0.2755 | −0.1515 | 0.1481 | 0.039* | |
| C14B | 0.3140 (10) | −0.0152 (6) | 0.1991 (5) | 0.026 (2) | |
| H14B | 0.2415 | −0.0193 | 0.2295 | 0.031* | |
| C15B | 0.1889 (8) | 0.3331 (6) | 0.0598 (5) | 0.0185 (18) | |
| C16B | 0.2680 (10) | 0.4114 (7) | 0.0489 (5) | 0.028 (2) | |
| H16B | 0.3248 | 0.4638 | 0.0969 | 0.033* | |
| C17B | 0.2642 (10) | 0.4132 (7) | −0.0335 (5) | 0.028 (2) | |
| H17B | 0.3195 | 0.4668 | −0.0405 | 0.034* | |
| C18B | 0.1808 (9) | 0.3378 (7) | −0.1040 (5) | 0.027 (2) | |
| H18B | 0.1789 | 0.3394 | −0.1593 | 0.033* | |
| C19B | 0.0998 (10) | 0.2595 (7) | −0.0936 (6) | 0.031 (2) | |
| H19B | 0.0430 | 0.2073 | −0.1419 | 0.037* | |
| C20B | 0.1017 (9) | 0.2572 (7) | −0.0113 (5) | 0.024 (2) | |
| H20B | 0.0438 | 0.2043 | −0.0044 | 0.029* |
| Te1A | 0.0149 (2) | 0.0184 (3) | 0.0158 (2) | 0.0060 (2) | 0.00256 (19) | 0.0063 (2) |
| Te2A | 0.0150 (3) | 0.0155 (3) | 0.0173 (2) | 0.0057 (2) | 0.00262 (19) | 0.0038 (2) |
| Te1B | 0.0183 (3) | 0.0135 (3) | 0.0139 (2) | 0.0054 (2) | 0.00404 (19) | 0.0049 (2) |
| Te2B | 0.0156 (3) | 0.0146 (3) | 0.0191 (2) | 0.0052 (2) | 0.0038 (2) | 0.0056 (2) |
| Re1A | 0.01346 (16) | 0.0165 (2) | 0.01774 (15) | 0.00313 (14) | 0.00234 (12) | 0.00503 (13) |
| Re2A | 0.01336 (16) | 0.01502 (19) | 0.01671 (15) | 0.00443 (14) | 0.00232 (12) | 0.00443 (13) |
| Re1B | 0.01496 (16) | 0.0154 (2) | 0.01675 (15) | 0.00200 (14) | 0.00352 (12) | 0.00532 (13) |
| Re2B | 0.01394 (16) | 0.0144 (2) | 0.01666 (15) | 0.00354 (14) | 0.00324 (12) | 0.00625 (13) |
| O1A | 0.062 (5) | 0.044 (6) | 0.068 (5) | 0.011 (5) | −0.003 (4) | 0.037 (5) |
| O2A | 0.029 (4) | 0.039 (5) | 0.024 (3) | 0.003 (3) | −0.003 (3) | −0.004 (3) |
| O3A | 0.025 (4) | 0.048 (5) | 0.041 (4) | 0.004 (3) | 0.018 (3) | 0.009 (3) |
| O4A | 0.035 (4) | 0.025 (4) | 0.030 (3) | 0.012 (3) | 0.002 (3) | 0.010 (3) |
| O5A | 0.031 (3) | 0.031 (4) | 0.029 (3) | 0.019 (3) | 0.003 (3) | 0.014 (3) |
| O6A | 0.027 (3) | 0.043 (5) | 0.031 (3) | 0.010 (3) | 0.013 (3) | 0.007 (3) |
| O7A | 0.033 (4) | 0.028 (5) | 0.037 (4) | −0.003 (3) | 0.007 (3) | −0.007 (3) |
| O8A | 0.038 (4) | 0.040 (5) | 0.061 (4) | 0.019 (4) | 0.005 (3) | 0.032 (4) |
| O1B | 0.031 (3) | 0.033 (4) | 0.021 (3) | 0.004 (3) | 0.009 (3) | 0.000 (3) |
| O2B | 0.053 (4) | 0.020 (4) | 0.043 (4) | −0.001 (4) | 0.015 (3) | 0.014 (3) |
| O3B | 0.029 (4) | 0.067 (6) | 0.044 (4) | 0.010 (4) | 0.008 (3) | 0.030 (4) |
| O4B | 0.037 (4) | 0.035 (4) | 0.027 (3) | 0.018 (3) | 0.016 (3) | 0.011 (3) |
| O5B | 0.040 (4) | 0.035 (4) | 0.022 (3) | 0.011 (3) | 0.014 (3) | 0.005 (3) |
| O6B | 0.024 (4) | 0.067 (6) | 0.075 (5) | 0.024 (4) | 0.010 (4) | 0.039 (5) |
| O7B | 0.029 (4) | 0.033 (5) | 0.051 (4) | 0.009 (3) | 0.015 (3) | 0.028 (4) |
| O8B | 0.063 (5) | 0.031 (5) | 0.025 (4) | −0.008 (4) | 0.014 (3) | −0.003 (3) |
| C1A | 0.030 (5) | 0.036 (7) | 0.030 (5) | 0.010 (5) | 0.003 (4) | 0.012 (5) |
| C2A | 0.020 (4) | 0.026 (6) | 0.035 (5) | 0.013 (4) | 0.012 (4) | 0.014 (4) |
| C3A | 0.023 (5) | 0.026 (6) | 0.020 (4) | 0.005 (4) | 0.010 (3) | 0.005 (4) |
| C4A | 0.009 (4) | 0.027 (6) | 0.015 (4) | 0.003 (4) | 0.001 (3) | 0.002 (4) |
| C5A | 0.016 (4) | 0.019 (5) | 0.020 (4) | 0.005 (4) | 0.007 (3) | −0.001 (4) |
| C6A | 0.016 (4) | 0.031 (6) | 0.016 (4) | 0.003 (4) | −0.001 (3) | 0.005 (4) |
| C7A | 0.019 (4) | 0.045 (7) | 0.029 (5) | 0.014 (5) | 0.013 (4) | 0.018 (5) |
| C8A | 0.024 (5) | 0.023 (6) | 0.031 (5) | 0.004 (4) | 0.011 (4) | 0.010 (4) |
| C9A | 0.014 (4) | 0.017 (5) | 0.023 (4) | 0.006 (4) | 0.008 (3) | 0.011 (4) |
| C10A | 0.028 (5) | 0.029 (6) | 0.021 (4) | 0.013 (4) | 0.006 (4) | 0.010 (4) |
| C11A | 0.025 (5) | 0.019 (5) | 0.035 (5) | 0.007 (4) | 0.007 (4) | 0.012 (4) |
| C12A | 0.041 (5) | 0.024 (6) | 0.033 (5) | 0.018 (5) | 0.017 (4) | 0.010 (4) |
| C13A | 0.031 (5) | 0.024 (6) | 0.030 (5) | 0.006 (5) | 0.002 (4) | −0.001 (4) |
| C14A | 0.023 (5) | 0.029 (6) | 0.028 (4) | 0.008 (4) | 0.002 (4) | 0.004 (4) |
| C15A | 0.024 (4) | 0.009 (5) | 0.018 (4) | 0.007 (4) | 0.005 (3) | −0.001 (3) |
| C16A | 0.020 (4) | 0.033 (6) | 0.030 (4) | 0.007 (4) | 0.003 (4) | 0.018 (4) |
| C17A | 0.032 (5) | 0.027 (6) | 0.026 (4) | 0.008 (5) | 0.012 (4) | 0.013 (4) |
| C18A | 0.043 (6) | 0.032 (6) | 0.017 (4) | 0.017 (5) | 0.009 (4) | 0.010 (4) |
| C19A | 0.027 (5) | 0.028 (6) | 0.024 (4) | 0.008 (4) | 0.000 (4) | 0.007 (4) |
| C20A | 0.027 (5) | 0.028 (6) | 0.018 (4) | 0.014 (4) | 0.007 (3) | 0.004 (4) |
| C1B | 0.021 (4) | 0.022 (5) | 0.016 (4) | 0.002 (4) | −0.002 (3) | 0.005 (4) |
| C2B | 0.020 (4) | 0.014 (5) | 0.028 (4) | 0.002 (4) | 0.011 (4) | 0.003 (4) |
| C3B | 0.018 (4) | 0.032 (6) | 0.030 (4) | 0.004 (4) | 0.001 (4) | 0.019 (4) |
| C4B | 0.012 (4) | 0.016 (5) | 0.027 (4) | 0.001 (4) | 0.001 (3) | 0.013 (4) |
| C5B | 0.018 (4) | 0.024 (5) | 0.028 (5) | 0.011 (4) | 0.011 (3) | 0.013 (4) |
| C6B | 0.024 (5) | 0.029 (6) | 0.034 (5) | 0.010 (4) | 0.009 (4) | 0.018 (4) |
| C7B | 0.020 (4) | 0.029 (6) | 0.028 (4) | 0.014 (4) | 0.005 (4) | 0.014 (4) |
| C8B | 0.026 (5) | 0.026 (6) | 0.024 (5) | 0.002 (4) | 0.004 (4) | 0.008 (4) |
| C9B | 0.020 (4) | 0.018 (5) | 0.017 (4) | 0.009 (4) | 0.004 (3) | 0.009 (3) |
| C10B | 0.039 (5) | 0.025 (6) | 0.032 (5) | 0.019 (5) | 0.015 (4) | 0.015 (4) |
| C11B | 0.049 (6) | 0.041 (7) | 0.034 (5) | 0.025 (6) | 0.025 (5) | 0.014 (5) |
| C12B | 0.056 (7) | 0.028 (6) | 0.037 (5) | 0.027 (6) | 0.023 (5) | 0.011 (5) |
| C13B | 0.038 (5) | 0.018 (6) | 0.039 (5) | 0.008 (5) | 0.012 (4) | 0.008 (4) |
| C14B | 0.031 (5) | 0.021 (6) | 0.031 (5) | 0.012 (4) | 0.016 (4) | 0.011 (4) |
| C15B | 0.017 (4) | 0.021 (5) | 0.019 (4) | 0.009 (4) | 0.003 (3) | 0.006 (3) |
| C16B | 0.031 (5) | 0.024 (6) | 0.027 (4) | 0.007 (4) | 0.004 (4) | 0.012 (4) |
| C17B | 0.029 (5) | 0.026 (6) | 0.034 (5) | 0.006 (5) | 0.011 (4) | 0.018 (4) |
| C18B | 0.028 (5) | 0.038 (6) | 0.023 (4) | 0.014 (5) | 0.007 (4) | 0.016 (4) |
| C19B | 0.032 (5) | 0.030 (6) | 0.031 (5) | 0.014 (5) | 0.004 (4) | 0.010 (4) |
| C20B | 0.017 (4) | 0.025 (6) | 0.025 (4) | 0.002 (4) | −0.001 (3) | 0.011 (4) |
| Te1A—C9A | 2.150 (8) | C9A—C14A | 1.386 (12) |
| Te1A—Re1A | 2.8115 (7) | C9A—C10A | 1.398 (11) |
| Te1A—Re2A | 2.8269 (7) | C10A—C11A | 1.395 (12) |
| Te2A—C15A | 2.169 (8) | C10A—H10A | 0.9500 |
| Te2A—Re2A | 2.8031 (8) | C11A—C12A | 1.363 (13) |
| Te2A—Re1A | 2.8131 (7) | C11A—H11A | 0.9500 |
| Te1B—C9B | 2.158 (8) | C12A—C13A | 1.403 (13) |
| Te1B—Re2B | 2.8215 (7) | C12A—H12A | 0.9500 |
| Te1B—Re1B | 2.8217 (7) | C13A—C14A | 1.390 (13) |
| Te2B—C15B | 2.143 (7) | C13A—H13A | 0.9500 |
| Te2B—Re1B | 2.8030 (7) | C14A—H14A | 0.9500 |
| Te2B—Re2B | 2.8237 (7) | C15A—C20A | 1.387 (11) |
| Re1A—C2A | 1.955 (9) | C15A—C16A | 1.388 (12) |
| Re1A—C3A | 1.962 (8) | C16A—C17A | 1.416 (11) |
| Re1A—C4A | 2.001 (9) | C16A—H16A | 0.9500 |
| Re1A—C1A | 2.020 (10) | C17A—C18A | 1.377 (13) |
| Re2A—C7A | 1.935 (10) | C17A—H17A | 0.9500 |
| Re2A—C6A | 1.937 (8) | C18A—C19A | 1.396 (13) |
| Re2A—C8A | 2.019 (9) | C18A—H18A | 0.9500 |
| Re2A—C5A | 2.026 (9) | C19A—C20A | 1.405 (11) |
| Re1B—C3B | 1.947 (8) | C19A—H19A | 0.9500 |
| Re1B—C2B | 1.954 (9) | C20A—H20A | 0.9500 |
| Re1B—C1B | 2.000 (8) | C9B—C10B | 1.378 (11) |
| Re1B—C4B | 2.001 (8) | C9B—C14B | 1.390 (12) |
| Re2B—C6B | 1.957 (9) | C10B—C11B | 1.390 (13) |
| Re2B—C7B | 1.963 (9) | C10B—H10B | 0.9500 |
| Re2B—C5B | 1.994 (8) | C11B—C12B | 1.402 (15) |
| Re2B—C8B | 2.004 (9) | C11B—H11B | 0.9500 |
| O1A—C1A | 1.148 (12) | C12B—C13B | 1.390 (13) |
| O2A—C2A | 1.138 (11) | C12B—H12B | 0.9500 |
| O3A—C3A | 1.129 (10) | C13B—C14B | 1.401 (13) |
| O4A—C4A | 1.157 (11) | C13B—H13B | 0.9500 |
| O5A—C5A | 1.138 (10) | C14B—H14B | 0.9500 |
| O6A—C6A | 1.174 (10) | C15B—C16B | 1.389 (12) |
| O7A—C7A | 1.164 (12) | C15B—C20B | 1.400 (12) |
| O8A—C8A | 1.146 (11) | C16B—C17B | 1.411 (11) |
| O1B—C1B | 1.152 (10) | C16B—H16B | 0.9500 |
| O2B—C2B | 1.147 (11) | C17B—C18B | 1.383 (13) |
| O3B—C3B | 1.162 (10) | C17B—H17B | 0.9500 |
| O4B—C4B | 1.155 (9) | C18B—C19B | 1.390 (13) |
| O5B—C5B | 1.139 (10) | C18B—H18B | 0.9500 |
| O6B—C6B | 1.151 (10) | C19B—C20B | 1.415 (12) |
| O7B—C7B | 1.147 (11) | C19B—H19B | 0.9500 |
| O8B—C8B | 1.134 (11) | C20B—H20B | 0.9500 |
| C9A—Te1A—Re1A | 108.5 (2) | C14A—C9A—C10A | 119.4 (8) |
| C9A—Te1A—Re2A | 108.5 (2) | C14A—C9A—Te1A | 117.5 (6) |
| Re1A—Te1A—Re2A | 96.25 (2) | C10A—C9A—Te1A | 122.9 (6) |
| C15A—Te2A—Re2A | 105.6 (2) | C11A—C10A—C9A | 119.4 (8) |
| C15A—Te2A—Re1A | 105.0 (2) | C11A—C10A—H10A | 120.3 |
| Re2A—Te2A—Re1A | 96.76 (2) | C9A—C10A—H10A | 120.3 |
| C9B—Te1B—Re2B | 107.9 (2) | C12A—C11A—C10A | 122.1 (8) |
| C9B—Te1B—Re1B | 102.1 (2) | C12A—C11A—H11A | 119.0 |
| Re2B—Te1B—Re1B | 95.74 (2) | C10A—C11A—H11A | 119.0 |
| C15B—Te2B—Re1B | 108.3 (2) | C11A—C12A—C13A | 118.1 (8) |
| C15B—Te2B—Re2B | 100.4 (2) | C11A—C12A—H12A | 120.9 |
| Re1B—Te2B—Re2B | 96.11 (2) | C13A—C12A—H12A | 120.9 |
| C2A—Re1A—C3A | 90.7 (3) | C14A—C13A—C12A | 121.1 (9) |
| C2A—Re1A—C4A | 92.9 (3) | C14A—C13A—H13A | 119.4 |
| C3A—Re1A—C4A | 89.8 (3) | C12A—C13A—H13A | 119.4 |
| C2A—Re1A—C1A | 91.8 (4) | C9A—C14A—C13A | 119.8 (8) |
| C3A—Re1A—C1A | 91.4 (4) | C9A—C14A—H14A | 120.1 |
| C4A—Re1A—C1A | 175.2 (4) | C13A—C14A—H14A | 120.1 |
| C2A—Re1A—Te1A | 171.3 (2) | C20A—C15A—C16A | 120.0 (7) |
| C3A—Re1A—Te1A | 97.4 (2) | C20A—C15A—Te2A | 122.3 (6) |
| C4A—Re1A—Te1A | 90.4 (2) | C16A—C15A—Te2A | 117.4 (6) |
| C1A—Re1A—Te1A | 84.8 (3) | C15A—C16A—C17A | 120.0 (8) |
| C2A—Re1A—Te2A | 91.8 (2) | C15A—C16A—H16A | 120.0 |
| C3A—Re1A—Te2A | 177.5 (3) | C17A—C16A—H16A | 120.0 |
| C4A—Re1A—Te2A | 89.3 (2) | C18A—C17A—C16A | 119.5 (8) |
| C1A—Re1A—Te2A | 89.2 (3) | C18A—C17A—H17A | 120.2 |
| Te1A—Re1A—Te2A | 80.23 (2) | C16A—C17A—H17A | 120.2 |
| C7A—Re2A—C6A | 93.9 (4) | C17A—C18A—C19A | 120.8 (8) |
| C7A—Re2A—C8A | 89.2 (4) | C17A—C18A—H18A | 119.6 |
| C6A—Re2A—C8A | 92.4 (3) | C19A—C18A—H18A | 119.6 |
| C7A—Re2A—C5A | 90.1 (4) | C18A—C19A—C20A | 119.3 (8) |
| C6A—Re2A—C5A | 90.6 (3) | C18A—C19A—H19A | 120.4 |
| C8A—Re2A—C5A | 176.9 (3) | C20A—C19A—H19A | 120.4 |
| C7A—Re2A—Te2A | 175.6 (2) | C15A—C20A—C19A | 120.3 (8) |
| C6A—Re2A—Te2A | 90.5 (3) | C15A—C20A—H20A | 119.8 |
| C8A—Re2A—Te2A | 90.0 (3) | C19A—C20A—H20A | 119.8 |
| C5A—Re2A—Te2A | 90.5 (2) | O1B—C1B—Re1B | 175.4 (8) |
| C7A—Re2A—Te1A | 95.6 (2) | O2B—C2B—Re1B | 179.2 (8) |
| C6A—Re2A—Te1A | 169.6 (3) | O3B—C3B—Re1B | 177.5 (9) |
| C8A—Re2A—Te1A | 92.0 (2) | O4B—C4B—Re1B | 178.7 (7) |
| C5A—Re2A—Te1A | 85.1 (2) | O5B—C5B—Re2B | 178.6 (7) |
| Te2A—Re2A—Te1A | 80.14 (2) | O6B—C6B—Re2B | 177.4 (8) |
| C3B—Re1B—C2B | 93.9 (4) | O7B—C7B—Re2B | 178.1 (7) |
| C3B—Re1B—C1B | 95.1 (3) | O8B—C8B—Re2B | 177.0 (9) |
| C2B—Re1B—C1B | 88.5 (3) | C10B—C9B—C14B | 120.5 (8) |
| C3B—Re1B—C4B | 92.5 (3) | C10B—C9B—Te1B | 123.1 (7) |
| C2B—Re1B—C4B | 89.0 (3) | C14B—C9B—Te1B | 116.3 (5) |
| C1B—Re1B—C4B | 172.1 (3) | C9B—C10B—C11B | 120.3 (9) |
| C3B—Re1B—Te2B | 88.0 (3) | C9B—C10B—H10B | 119.8 |
| C2B—Re1B—Te2B | 176.9 (2) | C11B—C10B—H10B | 119.8 |
| C1B—Re1B—Te2B | 93.7 (3) | C10B—C11B—C12B | 120.0 (9) |
| C4B—Re1B—Te2B | 88.5 (2) | C10B—C11B—H11B | 120.0 |
| C3B—Re1B—Te1B | 169.9 (3) | C12B—C11B—H11B | 120.0 |
| C2B—Re1B—Te1B | 96.2 (2) | C13B—C12B—C11B | 119.3 (9) |
| C1B—Re1B—Te1B | 85.5 (2) | C13B—C12B—H12B | 120.3 |
| C4B—Re1B—Te1B | 87.3 (2) | C11B—C12B—H12B | 120.3 |
| Te2B—Re1B—Te1B | 81.86 (2) | C12B—C13B—C14B | 120.4 (9) |
| C6B—Re2B—C7B | 91.7 (4) | C12B—C13B—H13B | 119.8 |
| C6B—Re2B—C5B | 92.2 (3) | C14B—C13B—H13B | 119.8 |
| C7B—Re2B—C5B | 91.1 (4) | C9B—C14B—C13B | 119.4 (8) |
| C6B—Re2B—C8B | 91.4 (4) | C9B—C14B—H14B | 120.3 |
| C7B—Re2B—C8B | 89.3 (4) | C13B—C14B—H14B | 120.3 |
| C5B—Re2B—C8B | 176.3 (3) | C16B—C15B—C20B | 119.5 (7) |
| C6B—Re2B—Te1B | 94.2 (3) | C16B—C15B—Te2B | 117.4 (6) |
| C7B—Re2B—Te1B | 173.5 (2) | C20B—C15B—Te2B | 123.1 (6) |
| C5B—Re2B—Te1B | 91.3 (2) | C15B—C16B—C17B | 120.1 (9) |
| C8B—Re2B—Te1B | 87.9 (3) | C15B—C16B—H16B | 119.9 |
| C6B—Re2B—Te2B | 175.5 (3) | C17B—C16B—H16B | 119.9 |
| C7B—Re2B—Te2B | 92.6 (2) | C18B—C17B—C16B | 120.7 (9) |
| C5B—Re2B—Te2B | 86.6 (2) | C18B—C17B—H17B | 119.7 |
| C8B—Re2B—Te2B | 89.7 (3) | C16B—C17B—H17B | 119.7 |
| Te1B—Re2B—Te2B | 81.502 (19) | C17B—C18B—C19B | 119.6 (8) |
| O1A—C1A—Re1A | 178.4 (9) | C17B—C18B—H18B | 120.2 |
| O2A—C2A—Re1A | 177.7 (8) | C19B—C18B—H18B | 120.2 |
| O3A—C3A—Re1A | 176.9 (8) | C18B—C19B—C20B | 120.2 (9) |
| O4A—C4A—Re1A | 176.2 (7) | C18B—C19B—H19B | 119.9 |
| O5A—C5A—Re2A | 178.4 (7) | C20B—C19B—H19B | 119.9 |
| O6A—C6A—Re2A | 178.0 (9) | C15B—C20B—C19B | 119.9 (9) |
| O7A—C7A—Re2A | 178.1 (8) | C15B—C20B—H20B | 120.0 |
| O8A—C8A—Re2A | 176.8 (9) | C19B—C20B—H20B | 120.0 |
| C9A—Te1A—Re1A—C2A | 154.5 (18) | Te1A—Re2A—C5A—O5A | −51 (28) |
| Re2A—Te1A—Re1A—C2A | 42.6 (17) | C7A—Re2A—C6A—O6A | 152 (20) |
| C9A—Te1A—Re1A—C3A | −48.0 (3) | C8A—Re2A—C6A—O6A | −119 (20) |
| Re2A—Te1A—Re1A—C3A | −159.9 (3) | C5A—Re2A—C6A—O6A | 61 (20) |
| C9A—Te1A—Re1A—C4A | 41.9 (3) | Te2A—Re2A—C6A—O6A | −29 (20) |
| Re2A—Te1A—Re1A—C4A | −70.0 (2) | Te1A—Re2A—C6A—O6A | −4(21) |
| C9A—Te1A—Re1A—C1A | −138.7 (3) | C6A—Re2A—C7A—O7A | 18 (25) |
| Re2A—Te1A—Re1A—C1A | 109.4 (3) | C8A—Re2A—C7A—O7A | −74 (25) |
| C9A—Te1A—Re1A—Te2A | 131.2 (2) | C5A—Re2A—C7A—O7A | 109 (25) |
| Re2A—Te1A—Re1A—Te2A | 19.292 (18) | Te2A—Re2A—C7A—O7A | −154 (22) |
| C15A—Te2A—Re1A—C2A | 55.8 (3) | Te1A—Re2A—C7A—O7A | −166 (25) |
| Re2A—Te2A—Re1A—C2A | 164.0 (3) | C7A—Re2A—C8A—O8A | 13 (14) |
| C15A—Te2A—Re1A—C3A | −108 (6) | C6A—Re2A—C8A—O8A | −81 (14) |
| Re2A—Te2A—Re1A—C3A | 0(6) | C5A—Re2A—C8A—O8A | 88 (15) |
| C15A—Te2A—Re1A—C4A | −37.1 (3) | Te2A—Re2A—C8A—O8A | −171 (14) |
| Re2A—Te2A—Re1A—C4A | 71.1 (2) | Te1A—Re2A—C8A—O8A | 108 (14) |
| C15A—Te2A—Re1A—C1A | 147.5 (4) | Re1A—Te1A—C9A—C14A | −176.9 (6) |
| Re2A—Te2A—Re1A—C1A | −104.3 (3) | Re2A—Te1A—C9A—C14A | −73.5 (6) |
| C15A—Te2A—Re1A—Te1A | −127.6 (2) | Re1A—Te1A—C9A—C10A | 8.9 (7) |
| Re2A—Te2A—Re1A—Te1A | −19.483 (18) | Re2A—Te1A—C9A—C10A | 112.3 (6) |
| C15A—Te2A—Re2A—C7A | 114 (4) | C14A—C9A—C10A—C11A | −2.5 (13) |
| Re1A—Te2A—Re2A—C7A | 6(4) | Te1A—C9A—C10A—C11A | 171.6 (6) |
| C15A—Te2A—Re2A—C6A | −57.4 (3) | C9A—C10A—C11A—C12A | 1.1 (14) |
| Re1A—Te2A—Re2A—C6A | −165.1 (3) | C10A—C11A—C12A—C13A | 1.2 (14) |
| C15A—Te2A—Re2A—C8A | 35.0 (3) | C11A—C12A—C13A—C14A | −2.2 (14) |
| Re1A—Te2A—Re2A—C8A | −72.6 (2) | C10A—C9A—C14A—C13A | 1.6 (13) |
| C15A—Te2A—Re2A—C5A | −148.0 (3) | Te1A—C9A—C14A—C13A | −172.8 (7) |
| Re1A—Te2A—Re2A—C5A | 104.3 (2) | C12A—C13A—C14A—C9A | 0.8 (14) |
| C15A—Te2A—Re2A—Te1A | 127.1 (2) | Re2A—Te2A—C15A—C20A | −121.9 (7) |
| Re1A—Te2A—Re2A—Te1A | 19.378 (17) | Re1A—Te2A—C15A—C20A | −20.3 (7) |
| C9A—Te1A—Re2A—C7A | 47.8 (3) | Re2A—Te2A—C15A—C16A | 64.0 (7) |
| Re1A—Te1A—Re2A—C7A | 159.6 (3) | Re1A—Te2A—C15A—C16A | 165.7 (6) |
| C9A—Te1A—Re2A—C6A | −156.6 (13) | C20A—C15A—C16A—C17A | 0.0 (14) |
| Re1A—Te1A—Re2A—C6A | −44.8 (13) | Te2A—C15A—C16A—C17A | 174.2 (7) |
| C9A—Te1A—Re2A—C8A | −41.6 (3) | C15A—C16A—C17A—C18A | −1.1 (14) |
| Re1A—Te1A—Re2A—C8A | 70.3 (3) | C16A—C17A—C18A—C19A | 0.5 (15) |
| C9A—Te1A—Re2A—C5A | 137.4 (3) | C17A—C18A—C19A—C20A | 1.2 (15) |
| Re1A—Te1A—Re2A—C5A | −110.8 (2) | C16A—C15A—C20A—C19A | 1.8 (13) |
| C9A—Te1A—Re2A—Te2A | −131.2 (2) | Te2A—C15A—C20A—C19A | −172.2 (7) |
| Re1A—Te1A—Re2A—Te2A | −19.370 (18) | C18A—C19A—C20A—C15A | −2.4 (14) |
| C15B—Te2B—Re1B—C3B | −60.3 (3) | C3B—Re1B—C1B—O1B | −123 (9) |
| Re2B—Te2B—Re1B—C3B | −163.4 (3) | C2B—Re1B—C1B—O1B | −29 (9) |
| C15B—Te2B—Re1B—C2B | 171 (4) | C4B—Re1B—C1B—O1B | 43 (10) |
| Re2B—Te2B—Re1B—C2B | 68 (4) | Te2B—Re1B—C1B—O1B | 149 (9) |
| C15B—Te2B—Re1B—C1B | 34.7 (3) | Te1B—Re1B—C1B—O1B | 67 (9) |
| Re2B—Te2B—Re1B—C1B | −68.4 (2) | C3B—Re1B—C2B—O2B | −3(60) |
| C15B—Te2B—Re1B—C4B | −152.9 (3) | C1B—Re1B—C2B—O2B | −98 (60) |
| Re2B—Te2B—Re1B—C4B | 104.0 (2) | C4B—Re1B—C2B—O2B | 89 (60) |
| C15B—Te2B—Re1B—Te1B | 119.6 (2) | Te2B—Re1B—C2B—O2B | 125 (57) |
| Re2B—Te2B—Re1B—Te1B | 16.538 (16) | Te1B—Re1B—C2B—O2B | 176 (100) |
| C9B—Te1B—Re1B—C3B | −125.8 (15) | C2B—Re1B—C3B—O3B | 158 (17) |
| Re2B—Te1B—Re1B—C3B | −16.1 (15) | C1B—Re1B—C3B—O3B | −113 (17) |
| C9B—Te1B—Re1B—C2B | 56.1 (3) | C4B—Re1B—C3B—O3B | 69 (17) |
| Re2B—Te1B—Re1B—C2B | 165.9 (2) | Te2B—Re1B—C3B—O3B | −20 (17) |
| C9B—Te1B—Re1B—C1B | −31.9 (3) | Te1B—Re1B—C3B—O3B | −20 (18) |
| Re2B—Te1B—Re1B—C1B | 77.9 (3) | C3B—Re1B—C4B—O4B | 123 (32) |
| C9B—Te1B—Re1B—C4B | 144.8 (3) | C2B—Re1B—C4B—O4B | 29 (32) |
| Re2B—Te1B—Re1B—C4B | −105.4 (2) | C1B—Re1B—C4B—O4B | −42 (33) |
| C9B—Te1B—Re1B—Te2B | −126.3 (2) | Te2B—Re1B—C4B—O4B | −149 (32) |
| Re2B—Te1B—Re1B—Te2B | −16.540 (17) | Te1B—Re1B—C4B—O4B | −67 (32) |
| C9B—Te1B—Re2B—C6B | −57.6 (3) | C6B—Re2B—C5B—O5B | 173 (100) |
| Re1B—Te1B—Re2B—C6B | −162.3 (3) | C7B—Re2B—C5B—O5B | −95 (32) |
| C9B—Te1B—Re2B—C7B | 147 (2) | C8B—Re2B—C5B—O5B | 2(36) |
| Re1B—Te1B—Re2B—C7B | 42 (2) | Te1B—Re2B—C5B—O5B | 79 (32) |
| C9B—Te1B—Re2B—C5B | 34.7 (3) | Te2B—Re2B—C5B—O5B | −2(32) |
| Re1B—Te1B—Re2B—C5B | −70.0 (2) | C7B—Re2B—C6B—O6B | −8(20) |
| C9B—Te1B—Re2B—C8B | −148.9 (3) | C5B—Re2B—C6B—O6B | 84 (20) |
| Re1B—Te1B—Re2B—C8B | 106.4 (3) | C8B—Re2B—C6B—O6B | −97 (20) |
| C9B—Te1B—Re2B—Te2B | 121.1 (2) | Te1B—Re2B—C6B—O6B | 175 (100) |
| Re1B—Te1B—Re2B—Te2B | 16.430 (17) | Te2B—Re2B—C6B—O6B | 159 (18) |
| C15B—Te2B—Re2B—C6B | −110 (3) | C6B—Re2B—C7B—O7B | 22 (25) |
| Re1B—Te2B—Re2B—C6B | 0(3) | C5B—Re2B—C7B—O7B | −71 (25) |
| C15B—Te2B—Re2B—C7B | 56.3 (4) | C8B—Re2B—C7B—O7B | 113 (25) |
| Re1B—Te2B—Re2B—C7B | 166.2 (3) | Te1B—Re2B—C7B—O7B | 177 (100) |
| C15B—Te2B—Re2B—C5B | −34.6 (3) | Te2B—Re2B—C7B—O7B | −157 (25) |
| Re1B—Te2B—Re2B—C5B | 75.3 (2) | C6B—Re2B—C8B—O8B | 95 (16) |
| C15B—Te2B—Re2B—C8B | 145.7 (4) | C7B—Re2B—C8B—O8B | 4(16) |
| Re1B—Te2B—Re2B—C8B | −104.4 (3) | C5B—Re2B—C8B—O8B | −93 (16) |
| C15B—Te2B—Re2B—Te1B | −126.4 (2) | Te1B—Re2B—C8B—O8B | −170 (16) |
| Re1B—Te2B—Re2B—Te1B | −16.555 (16) | Te2B—Re2B—C8B—O8B | −89 (16) |
| C2A—Re1A—C1A—O1A | 74 (36) | Re2B—Te1B—C9B—C10B | 16.1 (7) |
| C3A—Re1A—C1A—O1A | 165 (36) | Re1B—Te1B—C9B—C10B | 116.3 (6) |
| C4A—Re1A—C1A—O1A | −90 (36) | Re2B—Te1B—C9B—C14B | −168.0 (5) |
| Te1A—Re1A—C1A—O1A | −98 (36) | Re1B—Te1B—C9B—C14B | −67.8 (6) |
| Te2A—Re1A—C1A—O1A | −17 (36) | C14B—C9B—C10B—C11B | 1.1 (13) |
| C3A—Re1A—C2A—O2A | −23 (21) | Te1B—C9B—C10B—C11B | 176.9 (7) |
| C4A—Re1A—C2A—O2A | −112 (21) | C9B—C10B—C11B—C12B | 0.6 (14) |
| C1A—Re1A—C2A—O2A | 69 (21) | C10B—C11B—C12B—C13B | 0.4 (14) |
| Te1A—Re1A—C2A—O2A | 135 (20) | C11B—C12B—C13B—C14B | −3.1 (14) |
| Te2A—Re1A—C2A—O2A | 158 (21) | C10B—C9B—C14B—C13B | −3.7 (12) |
| C2A—Re1A—C3A—O3A | −4(17) | Te1B—C9B—C14B—C13B | −179.7 (6) |
| C4A—Re1A—C3A—O3A | 89 (17) | C12B—C13B—C14B—C9B | 4.7 (13) |
| C1A—Re1A—C3A—O3A | −96 (17) | Re1B—Te2B—C15B—C16B | −171.2 (6) |
| Te1A—Re1A—C3A—O3A | 179 (100) | Re2B—Te2B—C15B—C16B | −71.2 (6) |
| Te2A—Re1A—C3A—O3A | 160 (12) | Re1B—Te2B—C15B—C20B | 9.0 (7) |
| C2A—Re1A—C4A—O4A | 123 (11) | Re2B—Te2B—C15B—C20B | 109.1 (6) |
| C3A—Re1A—C4A—O4A | 33 (11) | C20B—C15B—C16B—C17B | −2.1 (12) |
| C1A—Re1A—C4A—O4A | −72 (12) | Te2B—C15B—C16B—C17B | 178.1 (6) |
| Te1A—Re1A—C4A—O4A | −65 (11) | C15B—C16B—C17B—C18B | 0.7 (13) |
| Te2A—Re1A—C4A—O4A | −145 (11) | C16B—C17B—C18B—C19B | 0.1 (13) |
| C7A—Re2A—C5A—O5A | 45 (28) | C17B—C18B—C19B—C20B | 0.5 (13) |
| C6A—Re2A—C5A—O5A | 139 (28) | C16B—C15B—C20B—C19B | 2.8 (12) |
| C8A—Re2A—C5A—O5A | −31 (32) | Te2B—C15B—C20B—C19B | −177.5 (6) |
| Te2A—Re2A—C5A—O5A | −131 (28) | C18B—C19B—C20B—C15B | −2.0 (13) |
| H··· | ||||
| C16A—H16A···O6A | 0.95 | 2.74 | 3.592 (11) | 149 |
| C20A—H20A···O2A | 0.95 | 2.87 | 3.678 (12) | 143 |
| C12B—H12B···O5Bi | 0.95 | 2.63 | 3.433 (11) | 143 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C16 | 0.95 | 2.74 | 3.592 (11) | 149 |
| C20 | 0.95 | 2.87 | 3.678 (12) | 143 |
| C12 | 0.95 | 2.63 | 3.433 (11) | 143 |
Symmetry code: (i) .