| Literature DB >> 25161513 |
YiXin Ren1, Andrea M Bruck1, Lisa F Szczepura1.
Abstract
The crystal structure of the title compound, [Re6Se8{NCC(CH3)3}(Et3P)5](SbF6)2·NCC(CH3)3, contains a face-capped octa-hedral [Re6(μ3-Se)8](2+) cluster core. The pseudo-centrosymmetric [Re6Se8](2+) cluster core is bonded through the Re atoms to five tri-ethyl-phosphane ligands and one tri-methyl-aceto-nitrile ligand. No significant interactions are observed between the cationic cluster, the SbF6 (-) anions and the trimethylacetonitrile solvent molecule.Entities:
Year: 2014 PMID: 25161513 PMCID: PMC4120548 DOI: 10.1107/S1600536814011982
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Re6Se8(C5H9N)(C6H15P)5](SbF6)2·C5H9N | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 9836 reflections | |
| θ = 2.2–27.5° | |
| µ = 14.65 mm−1 | |
| α = 82.157 (1)° | |
| β = 72.859 (1)° | Prism, orange |
| γ = 71.608 (1)° | 0.56 × 0.30 × 0.25 mm |
| Bruker APEXII CCD diffractometer | 14674 reflections with |
| Graphite monochromator | |
| ω scans | θmax = 27.5°, θmin = 1.3° |
| Absorption correction: integration ( | |
| 33157 measured reflections | |
| 16902 independent 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 | |
| 16902 reflections | (Δ/σ)max = 0.023 |
| 676 parameters | Δρmax = 3.10 e Å−3 |
| 0 restraints | Δρmin = −1.92 e Å−3 |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| C1 | 1.1228 (4) | 0.5555 (3) | 0.5509 (3) | 0.0418 (13) | |
| H1A | 1.1501 | 0.5042 | 0.5195 | 0.063* | |
| H1B | 1.0646 | 0.5502 | 0.5969 | 0.063* | |
| H1C | 1.1759 | 0.5629 | 0.5721 | 0.063* | |
| C2 | 1.0880 (4) | 0.6322 (3) | 0.4951 (3) | 0.0320 (11) | |
| H2A | 1.0359 | 0.6229 | 0.4729 | 0.038* | |
| H2B | 1.1471 | 0.6354 | 0.448 | 0.038* | |
| C3 | 1.1370 (3) | 0.7479 (4) | 0.5787 (3) | 0.0320 (11) | |
| H3A | 1.114 | 0.8051 | 0.6003 | 0.038* | |
| H3B | 1.1473 | 0.7064 | 0.6251 | 0.038* | |
| C4 | 1.2399 (4) | 0.7375 (5) | 0.5148 (4) | 0.0511 (16) | |
| H4A | 1.2889 | 0.746 | 0.5401 | 0.077* | |
| H4B | 1.2317 | 0.7795 | 0.4692 | 0.077* | |
| H4C | 1.2651 | 0.6804 | 0.494 | 0.077* | |
| C5 | 1.0268 (4) | 0.8076 (3) | 0.4538 (3) | 0.0282 (10) | |
| H5A | 1.0926 | 0.7909 | 0.4112 | 0.034* | |
| H5B | 0.9734 | 0.8014 | 0.4312 | 0.034* | |
| C6 | 1.0030 (4) | 0.9008 (3) | 0.4699 (3) | 0.0379 (12) | |
| H6A | 1.0005 | 0.935 | 0.4186 | 0.057* | |
| H6B | 1.0563 | 0.9083 | 0.4908 | 0.057* | |
| H6C | 0.9369 | 0.9189 | 0.5106 | 0.057* | |
| C7 | 0.7390 (4) | 1.0918 (3) | 0.6885 (3) | 0.0298 (10) | |
| H7A | 0.8076 | 1.0669 | 0.652 | 0.036* | |
| H7B | 0.7127 | 1.1504 | 0.6669 | 0.036* | |
| C8 | 0.7500 (5) | 1.0961 (3) | 0.7741 (3) | 0.0447 (14) | |
| H8A | 0.7961 | 1.1298 | 0.7708 | 0.067* | |
| H8B | 0.7781 | 1.0386 | 0.7957 | 0.067* | |
| H8C | 0.683 | 1.1224 | 0.8107 | 0.067* | |
| C9 | 0.5643 (5) | 1.0300 (3) | 0.5562 (4) | 0.0454 (14) | |
| H9A | 0.5635 | 1.0482 | 0.4992 | 0.068* | |
| H9B | 0.4968 | 1.0547 | 0.5929 | 0.068* | |
| H9C | 0.5818 | 0.9681 | 0.5623 | 0.068* | |
| C10 | 0.5307 (4) | 1.0819 (3) | 0.7486 (4) | 0.0373 (12) | |
| H10A | 0.4826 | 1.0514 | 0.7462 | 0.045* | |
| H10B | 0.5359 | 1.0754 | 0.8059 | 0.045* | |
| C11 | 0.4850 (5) | 1.1758 (3) | 0.7288 (4) | 0.0510 (15) | |
| H11A | 0.4182 | 1.1969 | 0.768 | 0.077* | |
| H11B | 0.477 | 1.1834 | 0.6729 | 0.077* | |
| H11C | 0.5304 | 1.2075 | 0.7329 | 0.077* | |
| C12 | 0.6435 (4) | 1.0595 (3) | 0.5783 (3) | 0.0355 (12) | |
| H12A | 0.626 | 1.122 | 0.5701 | 0.043* | |
| H12B | 0.7108 | 1.0356 | 0.5395 | 0.043* | |
| C13 | 0.5609 (5) | 0.5876 (4) | 0.5062 (4) | 0.0490 (15) | |
| H13A | 0.5699 | 0.5264 | 0.5096 | 0.074* | |
| H13B | 0.5938 | 0.6048 | 0.4502 | 0.074* | |
| H13C | 0.4879 | 0.6181 | 0.5199 | 0.074* | |
| C14 | 0.4643 (3) | 0.7743 (3) | 0.5917 (3) | 0.0266 (10) | |
| H14A | 0.4541 | 0.8354 | 0.5956 | 0.032* | |
| H14B | 0.4403 | 0.7684 | 0.5445 | 0.032* | |
| C15 | 0.3978 (4) | 0.7430 (4) | 0.6699 (3) | 0.0391 (12) | |
| H15A | 0.3263 | 0.776 | 0.6763 | 0.059* | |
| H15B | 0.4193 | 0.75 | 0.7174 | 0.059* | |
| H15C | 0.4053 | 0.683 | 0.6662 | 0.059* | |
| C16 | 0.6459 (4) | 0.7546 (3) | 0.4635 (3) | 0.0291 (10) | |
| H16A | 0.5996 | 0.7489 | 0.4327 | 0.035* | |
| H16B | 0.6403 | 0.8156 | 0.4619 | 0.035* | |
| C17 | 0.7553 (4) | 0.7075 (4) | 0.4187 (3) | 0.0381 (12) | |
| H17A | 0.7719 | 0.731 | 0.3621 | 0.057* | |
| H17B | 0.7617 | 0.6472 | 0.4181 | 0.057* | |
| H17C | 0.8025 | 0.7142 | 0.4472 | 0.057* | |
| C18 | 0.6094 (4) | 0.6083 (3) | 0.5667 (3) | 0.0320 (11) | |
| H18A | 0.6824 | 0.5754 | 0.553 | 0.038* | |
| H18B | 0.577 | 0.5884 | 0.6225 | 0.038* | |
| C19 | 0.4316 (4) | 0.8789 (3) | 0.9937 (3) | 0.0350 (11) | |
| H19A | 0.3753 | 0.8733 | 1.0424 | 0.042* | |
| H19B | 0.4877 | 0.8838 | 1.0137 | 0.042* | |
| C20 | 0.3940 (4) | 0.9598 (3) | 0.9445 (4) | 0.0440 (14) | |
| H20A | 0.3707 | 1.0084 | 0.9792 | 0.066* | |
| H20B | 0.3372 | 0.9564 | 0.9255 | 0.066* | |
| H20C | 0.4497 | 0.9669 | 0.897 | 0.066* | |
| C21 | 0.3689 (3) | 0.7825 (3) | 0.9000 (3) | 0.0313 (11) | |
| H21A | 0.3583 | 0.8296 | 0.8583 | 0.038* | |
| H21B | 0.3868 | 0.729 | 0.8723 | 0.038* | |
| C22 | 0.2677 (4) | 0.7912 (5) | 0.9667 (4) | 0.0512 (16) | |
| H22A | 0.2146 | 0.791 | 0.9415 | 0.077* | |
| H22B | 0.248 | 0.8446 | 0.9938 | 0.077* | |
| H22C | 0.2761 | 0.7437 | 1.0073 | 0.077* | |
| C23 | 0.4835 (4) | 0.7007 (3) | 1.0184 (3) | 0.0385 (12) | |
| H23A | 0.5385 | 0.701 | 1.0423 | 0.046* | |
| H23B | 0.4184 | 0.7163 | 1.0619 | 0.046* | |
| C24 | 0.5023 (5) | 0.6109 (4) | 0.9952 (4) | 0.0537 (16) | |
| H24A | 0.504 | 0.5725 | 1.0441 | 0.081* | |
| H24B | 0.5677 | 0.5935 | 0.9536 | 0.081* | |
| H24C | 0.4473 | 0.6089 | 0.9731 | 0.081* | |
| C25 | 0.8896 (4) | 0.9178 (3) | 0.9126 (3) | 0.0351 (11) | |
| H25A | 0.9174 | 0.9402 | 0.8567 | 0.042* | |
| H25B | 0.8155 | 0.947 | 0.9292 | 0.042* | |
| C26 | 0.9392 (5) | 0.9411 (4) | 0.9713 (4) | 0.0581 (18) | |
| H26A | 0.9253 | 1.0027 | 0.9693 | 0.087* | |
| H26B | 1.0131 | 0.9142 | 0.9546 | 0.087* | |
| H26C | 0.9109 | 0.9211 | 1.0274 | 0.087* | |
| C27 | 0.8660 (4) | 0.7665 (3) | 1.0143 (3) | 0.0315 (11) | |
| H27A | 0.8763 | 0.7048 | 1.0147 | 0.038* | |
| H27B | 0.9113 | 0.7746 | 1.0447 | 0.038* | |
| C28 | 0.7571 (4) | 0.8076 (4) | 1.0603 (3) | 0.0403 (12) | |
| H28A | 0.7436 | 0.7826 | 1.1165 | 0.06* | |
| H28B | 0.7109 | 0.7983 | 1.0323 | 0.06* | |
| H28C | 0.746 | 0.8686 | 1.0621 | 0.06* | |
| C29 | 1.0448 (4) | 0.7550 (4) | 0.8856 (3) | 0.0356 (12) | |
| H29A | 1.0678 | 0.7628 | 0.9326 | 0.043* | |
| H29B | 1.0584 | 0.6934 | 0.8817 | 0.043* | |
| C30 | 1.1086 (4) | 0.7886 (4) | 0.8070 (3) | 0.0489 (15) | |
| H30A | 1.181 | 0.758 | 0.8002 | 0.073* | |
| H30B | 1.098 | 0.8492 | 0.8109 | 0.073* | |
| H30C | 1.0877 | 0.7802 | 0.7597 | 0.073* | |
| C31 | 0.8895 (4) | 0.4422 (3) | 0.7933 (3) | 0.0260 (9) | |
| C32 | 0.9532 (4) | 0.3526 (3) | 0.7960 (3) | 0.0354 (11) | |
| C33 | 0.9655 (5) | 0.3144 (4) | 0.7159 (4) | 0.0593 (18) | |
| H33A | 1.007 | 0.255 | 0.7161 | 0.089* | |
| H33B | 0.9992 | 0.3461 | 0.6694 | 0.089* | |
| H33C | 0.8981 | 0.3175 | 0.7106 | 0.089* | |
| C34 | 0.9016 (5) | 0.3055 (4) | 0.8705 (5) | 0.067 (2) | |
| H34A | 0.9434 | 0.2463 | 0.8725 | 0.101* | |
| H34B | 0.8342 | 0.3074 | 0.8663 | 0.101* | |
| H34C | 0.894 | 0.3323 | 0.9206 | 0.101* | |
| C35 | 1.0566 (4) | 0.3539 (4) | 0.8030 (4) | 0.0498 (15) | |
| H35A | 1.1009 | 0.2957 | 0.8054 | 0.075* | |
| H35B | 1.0469 | 0.3817 | 0.8532 | 0.075* | |
| H35C | 1.0883 | 0.3852 | 0.7551 | 0.075* | |
| C36 | 0.2404 (8) | 0.5082 (7) | 0.8503 (7) | 0.092 (3) | |
| C37 | 0.2987 (11) | 0.4088 (9) | 0.8427 (12) | 0.205 (8) | |
| H37A | 0.3668 | 0.4009 | 0.8045 | 0.307* | |
| H37B | 0.2598 | 0.3814 | 0.8221 | 0.307* | |
| H37C | 0.3053 | 0.3832 | 0.8969 | 0.307* | |
| C38 | 0.2927 (9) | 0.5410 (9) | 0.9031 (10) | 0.175 (7) | |
| H38A | 0.3628 | 0.5383 | 0.8717 | 0.263* | |
| H38B | 0.2934 | 0.5055 | 0.9538 | 0.263* | |
| H38C | 0.2544 | 0.5998 | 0.9167 | 0.263* | |
| C39 | 0.2562 (9) | 0.5371 (9) | 0.7575 (10) | 0.163 (6) | |
| H39A | 0.3294 | 0.5248 | 0.7304 | 0.244* | |
| H39B | 0.2232 | 0.5981 | 0.7524 | 0.244* | |
| H39C | 0.226 | 0.5064 | 0.7315 | 0.244* | |
| C40 | 0.1561 (15) | 0.5159 (17) | 0.915 (3) | 0.36 (3) | |
| F1 | 0.2531 (8) | 0.9573 (4) | 0.6624 (5) | 0.212 (5) | |
| F2 | 0.1538 (4) | 1.1178 (3) | 0.6526 (3) | 0.0942 (16) | |
| F3 | 0.0733 (5) | 1.0160 (5) | 0.7581 (6) | 0.165 (3) | |
| F4 | 0.1339 (6) | 1.1252 (4) | 0.8083 (4) | 0.138 (3) | |
| F5 | 0.3127 (5) | 1.0646 (6) | 0.7098 (7) | 0.230 (5) | |
| F6 | 0.2306 (6) | 0.9624 (4) | 0.8152 (4) | 0.153 (3) | |
| F7 | 0.7219 (3) | 0.4491 (2) | 0.6701 (3) | 0.0738 (13) | |
| F8 | 0.6806 (4) | 0.3849 (4) | 0.8198 (3) | 0.0912 (16) | |
| F9 | 0.7393 (3) | 0.2881 (2) | 0.6927 (3) | 0.0734 (12) | |
| F10 | 0.5506 (4) | 0.3231 (3) | 0.7889 (3) | 0.0803 (13) | |
| F11 | 0.5893 (4) | 0.3878 (4) | 0.6390 (3) | 0.1015 (17) | |
| F12 | 0.5300 (3) | 0.4862 (3) | 0.7596 (3) | 0.0943 (17) | |
| N1 | 0.8484 (3) | 0.5115 (2) | 0.7873 (2) | 0.0238 (8) | |
| N2 | 0.073 (2) | 0.5245 (12) | 0.9253 (14) | 0.285 (12) | |
| P1 | 0.60080 (8) | 0.71945 (7) | 0.57038 (7) | 0.0193 (2) | |
| P2 | 0.90693 (9) | 0.80503 (8) | 0.90742 (7) | 0.0234 (2) | |
| P3 | 0.65518 (9) | 1.03080 (7) | 0.68263 (7) | 0.0220 (2) | |
| P4 | 0.47734 (9) | 0.78248 (7) | 0.93582 (7) | 0.0229 (2) | |
| P5 | 1.03484 (8) | 0.73423 (7) | 0.54307 (7) | 0.0213 (2) | |
| Re1 | 0.688385 (11) | 0.743153 (9) | 0.666496 (9) | 0.01376 (4) | |
| Re2 | 0.714718 (12) | 0.876729 (9) | 0.714493 (9) | 0.01413 (4) | |
| Re3 | 0.822021 (12) | 0.777146 (10) | 0.811523 (9) | 0.01500 (4) | |
| Re4 | 0.795584 (12) | 0.644280 (10) | 0.762819 (9) | 0.01549 (4) | |
| Re5 | 0.874630 (12) | 0.748784 (10) | 0.653646 (9) | 0.01477 (4) | |
| Re6 | 0.636216 (12) | 0.770712 (9) | 0.824427 (9) | 0.01418 (4) | |
| Sb1 | 0.19415 (3) | 1.04004 (3) | 0.73351 (3) | 0.04855 (10) | |
| Sb2 | 0.63357 (3) | 0.38715 (2) | 0.72789 (2) | 0.04228 (9) | |
| Se1 | 0.97085 (3) | 0.65466 (3) | 0.75048 (3) | 0.02030 (8) | |
| Se2 | 0.74483 (3) | 0.67505 (3) | 0.91214 (2) | 0.01991 (8) | |
| Se3 | 0.61689 (3) | 0.64309 (2) | 0.77419 (2) | 0.01832 (8) | |
| Se4 | 0.84312 (3) | 0.62241 (3) | 0.61136 (2) | 0.01910 (8) | |
| Se5 | 0.76775 (3) | 0.84359 (3) | 0.56541 (2) | 0.01809 (8) | |
| Se6 | 0.89391 (3) | 0.87685 (3) | 0.70301 (2) | 0.01902 (8) | |
| Se7 | 0.66682 (3) | 0.89756 (3) | 0.86628 (2) | 0.01834 (8) | |
| Se8 | 0.53968 (3) | 0.86534 (2) | 0.72856 (2) | 0.01701 (8) |
| C1 | 0.036 (3) | 0.033 (3) | 0.046 (3) | 0.006 (2) | −0.008 (2) | −0.011 (2) |
| C2 | 0.029 (2) | 0.034 (3) | 0.026 (2) | −0.004 (2) | 0.0006 (19) | −0.010 (2) |
| C3 | 0.021 (2) | 0.053 (3) | 0.026 (2) | −0.016 (2) | −0.0067 (19) | −0.002 (2) |
| C4 | 0.024 (3) | 0.093 (5) | 0.040 (3) | −0.028 (3) | −0.005 (2) | 0.000 (3) |
| C5 | 0.024 (2) | 0.038 (3) | 0.020 (2) | −0.011 (2) | 0.0005 (18) | −0.0017 (19) |
| C6 | 0.040 (3) | 0.035 (3) | 0.034 (3) | −0.018 (2) | 0.001 (2) | 0.005 (2) |
| C7 | 0.043 (3) | 0.021 (2) | 0.031 (2) | −0.017 (2) | −0.011 (2) | 0.0021 (18) |
| C8 | 0.074 (4) | 0.032 (3) | 0.046 (3) | −0.027 (3) | −0.030 (3) | 0.000 (2) |
| C9 | 0.067 (4) | 0.029 (3) | 0.054 (3) | −0.013 (3) | −0.043 (3) | 0.009 (2) |
| C10 | 0.032 (3) | 0.020 (2) | 0.054 (3) | −0.005 (2) | −0.005 (2) | −0.001 (2) |
| C11 | 0.057 (4) | 0.023 (3) | 0.062 (4) | 0.000 (3) | −0.012 (3) | −0.001 (3) |
| C12 | 0.060 (3) | 0.021 (2) | 0.032 (3) | −0.013 (2) | −0.026 (2) | 0.0101 (19) |
| C13 | 0.059 (4) | 0.043 (3) | 0.064 (4) | −0.020 (3) | −0.033 (3) | −0.013 (3) |
| C14 | 0.021 (2) | 0.034 (2) | 0.030 (2) | −0.0072 (19) | −0.0161 (19) | 0.0001 (19) |
| C15 | 0.022 (2) | 0.058 (3) | 0.039 (3) | −0.017 (2) | −0.005 (2) | −0.005 (3) |
| C16 | 0.032 (3) | 0.038 (3) | 0.020 (2) | −0.012 (2) | −0.0107 (19) | 0.0018 (19) |
| C17 | 0.037 (3) | 0.052 (3) | 0.025 (2) | −0.015 (3) | −0.005 (2) | −0.006 (2) |
| C18 | 0.039 (3) | 0.029 (2) | 0.039 (3) | −0.016 (2) | −0.021 (2) | −0.003 (2) |
| C19 | 0.029 (3) | 0.050 (3) | 0.020 (2) | −0.012 (2) | 0.0058 (19) | −0.010 (2) |
| C20 | 0.039 (3) | 0.038 (3) | 0.049 (3) | −0.005 (2) | 0.000 (3) | −0.019 (3) |
| C21 | 0.022 (2) | 0.045 (3) | 0.028 (2) | −0.017 (2) | −0.0011 (19) | −0.001 (2) |
| C22 | 0.029 (3) | 0.084 (5) | 0.042 (3) | −0.029 (3) | 0.002 (2) | −0.004 (3) |
| C23 | 0.033 (3) | 0.051 (3) | 0.026 (3) | −0.016 (2) | −0.002 (2) | 0.013 (2) |
| C24 | 0.062 (4) | 0.043 (3) | 0.052 (4) | −0.026 (3) | −0.008 (3) | 0.020 (3) |
| C25 | 0.046 (3) | 0.034 (3) | 0.039 (3) | −0.022 (2) | −0.020 (2) | −0.004 (2) |
| C26 | 0.074 (5) | 0.060 (4) | 0.066 (4) | −0.034 (4) | −0.036 (4) | −0.015 (3) |
| C27 | 0.034 (3) | 0.043 (3) | 0.022 (2) | −0.013 (2) | −0.013 (2) | 0.001 (2) |
| C28 | 0.042 (3) | 0.050 (3) | 0.025 (3) | −0.009 (3) | −0.005 (2) | −0.007 (2) |
| C29 | 0.026 (2) | 0.057 (3) | 0.030 (3) | −0.014 (2) | −0.014 (2) | −0.004 (2) |
| C30 | 0.035 (3) | 0.083 (5) | 0.037 (3) | −0.030 (3) | −0.007 (2) | −0.006 (3) |
| C31 | 0.030 (2) | 0.027 (2) | 0.020 (2) | −0.008 (2) | −0.0069 (18) | 0.0022 (18) |
| C32 | 0.042 (3) | 0.021 (2) | 0.036 (3) | −0.001 (2) | −0.010 (2) | 0.002 (2) |
| C33 | 0.068 (4) | 0.044 (3) | 0.063 (4) | 0.012 (3) | −0.033 (4) | −0.023 (3) |
| C34 | 0.065 (4) | 0.042 (4) | 0.079 (5) | −0.014 (3) | −0.014 (4) | 0.033 (3) |
| C35 | 0.043 (3) | 0.050 (4) | 0.050 (3) | 0.002 (3) | −0.023 (3) | 0.003 (3) |
| C36 | 0.084 (7) | 0.092 (7) | 0.086 (7) | −0.032 (6) | 0.007 (5) | −0.013 (5) |
| C37 | 0.135 (13) | 0.130 (13) | 0.31 (2) | −0.012 (10) | −0.011 (14) | −0.042 (14) |
| C38 | 0.101 (10) | 0.179 (14) | 0.261 (19) | −0.005 (9) | −0.094 (11) | −0.043 (13) |
| C39 | 0.082 (8) | 0.180 (14) | 0.239 (19) | −0.045 (9) | −0.063 (10) | 0.011 (13) |
| C40 | 0.097 (13) | 0.149 (18) | 0.71 (7) | −0.007 (13) | 0.01 (2) | 0.07 (3) |
| F1 | 0.334 (12) | 0.087 (5) | 0.122 (6) | 0.063 (6) | −0.040 (7) | −0.045 (4) |
| F2 | 0.127 (4) | 0.074 (3) | 0.073 (3) | −0.008 (3) | −0.049 (3) | 0.021 (2) |
| F3 | 0.116 (5) | 0.160 (6) | 0.247 (9) | −0.091 (5) | −0.062 (6) | 0.048 (6) |
| F4 | 0.219 (7) | 0.084 (4) | 0.103 (4) | 0.011 (4) | −0.076 (5) | −0.034 (3) |
| F5 | 0.082 (5) | 0.226 (10) | 0.394 (15) | −0.079 (6) | −0.088 (7) | 0.087 (9) |
| F6 | 0.205 (7) | 0.100 (4) | 0.132 (5) | 0.012 (5) | −0.093 (5) | 0.041 (4) |
| F7 | 0.056 (2) | 0.043 (2) | 0.090 (3) | −0.0109 (18) | 0.019 (2) | 0.011 (2) |
| F8 | 0.094 (3) | 0.156 (5) | 0.053 (2) | −0.073 (3) | −0.015 (2) | −0.022 (3) |
| F9 | 0.095 (3) | 0.0270 (17) | 0.086 (3) | −0.0060 (19) | −0.016 (2) | −0.0080 (18) |
| F10 | 0.106 (3) | 0.087 (3) | 0.070 (3) | −0.076 (3) | −0.013 (2) | 0.012 (2) |
| F11 | 0.110 (4) | 0.114 (4) | 0.072 (3) | −0.010 (3) | −0.035 (3) | −0.003 (3) |
| F12 | 0.045 (2) | 0.060 (3) | 0.154 (5) | −0.014 (2) | 0.024 (3) | −0.044 (3) |
| N1 | 0.0262 (19) | 0.0220 (19) | 0.0246 (19) | −0.0065 (16) | −0.0097 (15) | 0.0000 (15) |
| N2 | 0.49 (4) | 0.151 (15) | 0.29 (2) | −0.08 (2) | −0.24 (3) | 0.033 (15) |
| P1 | 0.0204 (5) | 0.0222 (5) | 0.0198 (5) | −0.0084 (4) | −0.0097 (4) | −0.0008 (4) |
| P2 | 0.0248 (6) | 0.0311 (6) | 0.0203 (5) | −0.0120 (5) | −0.0106 (4) | −0.0017 (5) |
| P3 | 0.0284 (6) | 0.0154 (5) | 0.0244 (6) | −0.0088 (4) | −0.0091 (5) | 0.0022 (4) |
| P4 | 0.0213 (5) | 0.0295 (6) | 0.0175 (5) | −0.0107 (5) | −0.0018 (4) | 0.0010 (4) |
| P5 | 0.0172 (5) | 0.0289 (6) | 0.0179 (5) | −0.0080 (4) | −0.0025 (4) | −0.0028 (4) |
| Re1 | 0.01486 (7) | 0.01414 (7) | 0.01429 (7) | −0.00571 (6) | −0.00525 (6) | −0.00074 (6) |
| Re2 | 0.01648 (8) | 0.01339 (7) | 0.01429 (7) | −0.00661 (6) | −0.00464 (6) | 0.00011 (6) |
| Re3 | 0.01664 (8) | 0.01715 (8) | 0.01394 (7) | −0.00719 (6) | −0.00573 (6) | −0.00066 (6) |
| Re4 | 0.01729 (8) | 0.01348 (7) | 0.01706 (8) | −0.00484 (6) | −0.00662 (6) | 0.00015 (6) |
| Re5 | 0.01446 (7) | 0.01705 (8) | 0.01413 (7) | −0.00593 (6) | −0.00397 (6) | −0.00157 (6) |
| Re6 | 0.01552 (8) | 0.01466 (7) | 0.01357 (7) | −0.00644 (6) | −0.00383 (6) | 0.00016 (6) |
| Sb1 | 0.0484 (2) | 0.0368 (2) | 0.0549 (2) | −0.00317 (17) | −0.01924 (19) | 0.00604 (18) |
| Sb2 | 0.0558 (2) | 0.03129 (18) | 0.03719 (19) | −0.01950 (17) | −0.00054 (17) | −0.00348 (15) |
| Se1 | 0.01711 (19) | 0.0226 (2) | 0.0218 (2) | −0.00381 (16) | −0.00813 (16) | −0.00154 (16) |
| Se2 | 0.0243 (2) | 0.0214 (2) | 0.01611 (19) | −0.00918 (17) | −0.00779 (16) | 0.00362 (15) |
| Se3 | 0.0207 (2) | 0.01633 (19) | 0.0212 (2) | −0.00994 (16) | −0.00657 (16) | 0.00130 (15) |
| Se4 | 0.0200 (2) | 0.01796 (19) | 0.0203 (2) | −0.00409 (16) | −0.00628 (16) | −0.00549 (15) |
| Se5 | 0.0204 (2) | 0.02048 (19) | 0.01486 (18) | −0.00841 (16) | −0.00521 (15) | 0.00141 (15) |
| Se6 | 0.0206 (2) | 0.0219 (2) | 0.01907 (19) | −0.01239 (16) | −0.00522 (16) | −0.00080 (16) |
| Se7 | 0.0218 (2) | 0.01805 (19) | 0.01662 (19) | −0.00722 (16) | −0.00446 (16) | −0.00362 (15) |
| Se8 | 0.01577 (19) | 0.01644 (18) | 0.01924 (19) | −0.00473 (15) | −0.00557 (15) | −0.00014 (15) |
| C1—C2 | 1.527 (7) | C27—H27B | 0.99 |
| C1—H1A | 0.98 | C28—H28A | 0.98 |
| C1—H1B | 0.98 | C28—H28B | 0.98 |
| C1—H1C | 0.98 | C28—H28C | 0.98 |
| C2—P5 | 1.825 (5) | C29—C30 | 1.531 (7) |
| C2—H2A | 0.99 | C29—P2 | 1.830 (5) |
| C2—H2B | 0.99 | C29—H29A | 0.99 |
| C3—C4 | 1.529 (6) | C29—H29B | 0.99 |
| C3—P5 | 1.826 (5) | C30—H30A | 0.98 |
| C3—H3A | 0.99 | C30—H30B | 0.98 |
| C3—H3B | 0.99 | C30—H30C | 0.98 |
| C4—H4A | 0.98 | C31—N1 | 1.123 (6) |
| C4—H4B | 0.98 | C31—C32 | 1.486 (6) |
| C4—H4C | 0.98 | C32—C34 | 1.522 (8) |
| C5—C6 | 1.525 (7) | C32—C33 | 1.527 (8) |
| C5—P5 | 1.825 (5) | C32—C35 | 1.529 (8) |
| C5—H5A | 0.99 | C33—H33A | 0.98 |
| C5—H5B | 0.99 | C33—H33B | 0.98 |
| C6—H6A | 0.98 | C33—H33C | 0.98 |
| C6—H6B | 0.98 | C34—H34A | 0.98 |
| C6—H6C | 0.98 | C34—H34B | 0.98 |
| C7—C8 | 1.527 (7) | C34—H34C | 0.98 |
| C7—P3 | 1.831 (5) | C35—H35A | 0.98 |
| C7—H7A | 0.99 | C35—H35B | 0.98 |
| C7—H7B | 0.99 | C35—H35C | 0.98 |
| C8—H8A | 0.98 | C36—C40 | 1.36 (3) |
| C8—H8B | 0.98 | C36—C39 | 1.560 (16) |
| C8—H8C | 0.98 | C36—C38 | 1.569 (15) |
| C9—C12 | 1.525 (7) | C36—C37 | 1.606 (16) |
| C9—H9A | 0.98 | C37—H37A | 0.98 |
| C9—H9B | 0.98 | C37—H37B | 0.98 |
| C9—H9C | 0.98 | C37—H37C | 0.98 |
| C10—C11 | 1.525 (7) | C38—H38A | 0.98 |
| C10—P3 | 1.815 (5) | C38—H38B | 0.98 |
| C10—H10A | 0.99 | C38—H38C | 0.98 |
| C10—H10B | 0.99 | C39—H39A | 0.98 |
| C11—H11A | 0.98 | C39—H39B | 0.98 |
| C11—H11B | 0.98 | C39—H39C | 0.98 |
| C11—H11C | 0.98 | C40—N2 | 1.12 (3) |
| C12—P3 | 1.821 (5) | F1—Sb1 | 1.788 (6) |
| C12—H12A | 0.99 | F2—Sb1 | 1.851 (4) |
| C12—H12B | 0.99 | F3—Sb1 | 1.816 (6) |
| C13—C18 | 1.530 (6) | F4—Sb1 | 1.858 (5) |
| C13—H13A | 0.98 | F5—Sb1 | 1.791 (6) |
| C13—H13B | 0.98 | F6—Sb1 | 1.843 (5) |
| C13—H13C | 0.98 | F7—Sb2 | 1.857 (4) |
| C14—C15 | 1.528 (7) | F8—Sb2 | 1.871 (4) |
| C14—P1 | 1.828 (4) | F9—Sb2 | 1.879 (4) |
| C14—H14A | 0.99 | F10—Sb2 | 1.844 (4) |
| C14—H14B | 0.99 | F11—Sb2 | 1.804 (5) |
| C15—H15A | 0.98 | F12—Sb2 | 1.856 (4) |
| C15—H15B | 0.98 | N1—Re4 | 2.125 (4) |
| C15—H15C | 0.98 | P1—Re1 | 2.4741 (10) |
| C16—C17 | 1.530 (7) | P2—Re3 | 2.4715 (11) |
| C16—P1 | 1.827 (5) | P3—Re2 | 2.4729 (11) |
| C16—H16A | 0.99 | P4—Re6 | 2.4705 (11) |
| C16—H16B | 0.99 | P5—Re5 | 2.4717 (11) |
| C17—H17A | 0.98 | Re1—Se4 | 2.5136 (4) |
| C17—H17B | 0.98 | Re1—Se5 | 2.5139 (4) |
| C17—H17C | 0.98 | Re1—Se8 | 2.5148 (4) |
| C18—P1 | 1.824 (5) | Re1—Se3 | 2.5163 (4) |
| C18—H18A | 0.99 | Re1—Re4 | 2.6311 (2) |
| C18—H18B | 0.99 | Re1—Re6 | 2.6376 (3) |
| C19—C20 | 1.520 (8) | Re1—Re2 | 2.6396 (2) |
| C19—P4 | 1.836 (5) | Re1—Re5 | 2.6441 (3) |
| C19—H19A | 0.99 | Re2—Se8 | 2.5143 (5) |
| C19—H19B | 0.99 | Re2—Se5 | 2.5149 (4) |
| C20—H20A | 0.98 | Re2—Se7 | 2.5178 (4) |
| C20—H20B | 0.98 | Re2—Se6 | 2.5185 (5) |
| C20—H20C | 0.98 | Re2—Re5 | 2.6436 (2) |
| C21—C22 | 1.535 (6) | Re2—Re3 | 2.6448 (2) |
| C21—P4 | 1.830 (5) | Re2—Re6 | 2.6464 (2) |
| C21—H21A | 0.99 | Re3—Se7 | 2.5125 (4) |
| C21—H21B | 0.99 | Re3—Se1 | 2.5137 (4) |
| C22—H22A | 0.98 | Re3—Se2 | 2.5159 (4) |
| C22—H22B | 0.98 | Re3—Se6 | 2.5218 (4) |
| C22—H22C | 0.98 | Re3—Re4 | 2.6350 (3) |
| C23—C24 | 1.519 (8) | Re3—Re5 | 2.6393 (3) |
| C23—P4 | 1.821 (5) | Re3—Re6 | 2.6422 (3) |
| C23—H23A | 0.99 | Re4—Se2 | 2.5109 (4) |
| C23—H23B | 0.99 | Re4—Se4 | 2.5161 (4) |
| C24—H24A | 0.98 | Re4—Se3 | 2.5174 (5) |
| C24—H24B | 0.98 | Re4—Se1 | 2.5176 (5) |
| C24—H24C | 0.98 | Re4—Re5 | 2.6256 (2) |
| C25—C26 | 1.535 (7) | Re4—Re6 | 2.6283 (2) |
| C25—P2 | 1.825 (5) | Re5—Se5 | 2.5075 (4) |
| C25—H25A | 0.99 | Re5—Se6 | 2.5161 (4) |
| C25—H25B | 0.99 | Re5—Se4 | 2.5213 (4) |
| C26—H26A | 0.98 | Re5—Se1 | 2.5215 (4) |
| C26—H26B | 0.98 | Re6—Se8 | 2.5149 (4) |
| C26—H26C | 0.98 | Re6—Se3 | 2.5168 (4) |
| C27—C28 | 1.507 (7) | Re6—Se7 | 2.5186 (4) |
| C27—P2 | 1.834 (5) | Re6—Se2 | 2.5211 (4) |
| C27—H27A | 0.99 | ||
| C2—C1—H1A | 109.5 | Se5—Re1—Se8 | 90.371 (14) |
| C2—C1—H1B | 109.5 | P1—Re1—Se3 | 91.74 (3) |
| H1A—C1—H1B | 109.5 | Se4—Re1—Se3 | 89.745 (15) |
| C2—C1—H1C | 109.5 | Se5—Re1—Se3 | 175.827 (14) |
| H1A—C1—H1C | 109.5 | Se8—Re1—Se3 | 90.025 (14) |
| H1B—C1—H1C | 109.5 | P1—Re1—Re4 | 134.73 (3) |
| C1—C2—P5 | 115.8 (3) | Se4—Re1—Re4 | 58.504 (11) |
| C1—C2—H2A | 108.3 | Se5—Re1—Re4 | 117.796 (12) |
| P5—C2—H2A | 108.3 | Se8—Re1—Re4 | 118.201 (12) |
| C1—C2—H2B | 108.3 | Se3—Re1—Re4 | 58.506 (11) |
| P5—C2—H2B | 108.3 | P1—Re1—Re6 | 135.18 (3) |
| H2A—C2—H2B | 107.4 | Se4—Re1—Re6 | 118.346 (11) |
| C4—C3—P5 | 116.1 (4) | Se5—Re1—Re6 | 118.525 (11) |
| C4—C3—H3A | 108.3 | Se8—Re1—Re6 | 58.374 (10) |
| P5—C3—H3A | 108.3 | Se3—Re1—Re6 | 58.405 (11) |
| C4—C3—H3B | 108.3 | Re4—Re1—Re6 | 59.847 (7) |
| P5—C3—H3B | 108.3 | P1—Re1—Re2 | 135.38 (3) |
| H3A—C3—H3B | 107.4 | Se4—Re1—Re2 | 118.501 (12) |
| C3—C4—H4A | 109.5 | Se5—Re1—Re2 | 58.358 (10) |
| C3—C4—H4B | 109.5 | Se8—Re1—Re2 | 58.332 (11) |
| H4A—C4—H4B | 109.5 | Se3—Re1—Re2 | 118.588 (12) |
| C3—C4—H4C | 109.5 | Re4—Re1—Re2 | 89.889 (8) |
| H4A—C4—H4C | 109.5 | Re6—Re1—Re2 | 60.196 (6) |
| H4B—C4—H4C | 109.5 | P1—Re1—Re5 | 134.89 (3) |
| C6—C5—P5 | 115.5 (3) | Se4—Re1—Re5 | 58.464 (11) |
| C6—C5—H5A | 108.4 | Se5—Re1—Re5 | 58.108 (10) |
| P5—C5—H5A | 108.4 | Se8—Re1—Re5 | 118.355 (11) |
| C6—C5—H5B | 108.4 | Se3—Re1—Re5 | 118.198 (11) |
| P5—C5—H5B | 108.4 | Re4—Re1—Re5 | 59.699 (6) |
| H5A—C5—H5B | 107.5 | Re6—Re1—Re5 | 89.926 (7) |
| C5—C6—H6A | 109.5 | Re2—Re1—Re5 | 60.045 (6) |
| C5—C6—H6B | 109.5 | P3—Re2—Se8 | 90.14 (3) |
| H6A—C6—H6B | 109.5 | P3—Re2—Se5 | 92.31 (3) |
| C5—C6—H6C | 109.5 | Se8—Re2—Se5 | 90.360 (14) |
| H6A—C6—H6C | 109.5 | P3—Re2—Se7 | 92.21 (3) |
| H6B—C6—H6C | 109.5 | Se8—Re2—Se7 | 89.763 (14) |
| C8—C7—P3 | 115.7 (3) | Se5—Re2—Se7 | 175.479 (14) |
| C8—C7—H7A | 108.4 | P3—Re2—Se6 | 93.99 (3) |
| P3—C7—H7A | 108.4 | Se8—Re2—Se6 | 175.871 (14) |
| C8—C7—H7B | 108.4 | Se5—Re2—Se6 | 89.567 (14) |
| P3—C7—H7B | 108.4 | Se7—Re2—Se6 | 89.985 (14) |
| H7A—C7—H7B | 107.4 | P3—Re2—Re1 | 133.58 (3) |
| C7—C8—H8A | 109.5 | Se8—Re2—Re1 | 58.351 (10) |
| C7—C8—H8B | 109.5 | Se5—Re2—Re1 | 58.321 (10) |
| H8A—C8—H8B | 109.5 | Se7—Re2—Re1 | 118.168 (11) |
| C7—C8—H8C | 109.5 | Se6—Re2—Re1 | 118.335 (11) |
| H8A—C8—H8C | 109.5 | P3—Re2—Re5 | 136.47 (3) |
| H8B—C8—H8C | 109.5 | Se8—Re2—Re5 | 118.392 (11) |
| C12—C9—H9A | 109.5 | Se5—Re2—Re5 | 58.103 (10) |
| C12—C9—H9B | 109.5 | Se7—Re2—Re5 | 118.043 (11) |
| H9A—C9—H9B | 109.5 | Se6—Re2—Re5 | 58.282 (11) |
| C12—C9—H9C | 109.5 | Re1—Re2—Re5 | 60.063 (7) |
| H9A—C9—H9C | 109.5 | P3—Re2—Re3 | 136.37 (3) |
| H9B—C9—H9C | 109.5 | Se8—Re2—Re3 | 118.169 (11) |
| C11—C10—P3 | 116.3 (4) | Se5—Re2—Re3 | 117.968 (12) |
| C11—C10—H10A | 108.2 | Se7—Re2—Re3 | 58.183 (11) |
| P3—C10—H10A | 108.2 | Se6—Re2—Re3 | 58.410 (11) |
| C11—C10—H10B | 108.2 | Re1—Re2—Re3 | 90.011 (8) |
| P3—C10—H10B | 108.2 | Re5—Re2—Re3 | 59.876 (7) |
| H10A—C10—H10B | 107.4 | P3—Re2—Re6 | 133.76 (3) |
| C10—C11—H11A | 109.5 | Se8—Re2—Re6 | 58.262 (10) |
| C10—C11—H11B | 109.5 | Se5—Re2—Re6 | 118.157 (11) |
| H11A—C11—H11B | 109.5 | Se7—Re2—Re6 | 58.316 (10) |
| C10—C11—H11C | 109.5 | Se6—Re2—Re6 | 118.306 (12) |
| H11A—C11—H11C | 109.5 | Re1—Re2—Re6 | 59.865 (7) |
| H11B—C11—H11C | 109.5 | Re5—Re2—Re6 | 89.746 (8) |
| C9—C12—P3 | 115.3 (4) | Re3—Re2—Re6 | 59.916 (7) |
| C9—C12—H12A | 108.4 | P2—Re3—Se7 | 90.34 (3) |
| P3—C12—H12A | 108.4 | P2—Re3—Se1 | 93.59 (3) |
| C9—C12—H12B | 108.4 | Se7—Re3—Se1 | 176.066 (14) |
| P3—C12—H12B | 108.4 | P2—Re3—Se2 | 93.07 (3) |
| H12A—C12—H12B | 107.5 | Se7—Re3—Se2 | 90.253 (15) |
| C18—C13—H13A | 109.5 | Se1—Re3—Se2 | 89.364 (15) |
| C18—C13—H13B | 109.5 | P2—Re3—Se6 | 91.17 (3) |
| H13A—C13—H13B | 109.5 | Se7—Re3—Se6 | 90.030 (15) |
| C18—C13—H13C | 109.5 | Se1—Re3—Se6 | 90.064 (15) |
| H13A—C13—H13C | 109.5 | Se2—Re3—Se6 | 175.753 (14) |
| H13B—C13—H13C | 109.5 | P2—Re3—Re4 | 137.20 (3) |
| C15—C14—P1 | 115.2 (3) | Se7—Re3—Re4 | 118.152 (12) |
| C15—C14—H14A | 108.5 | Se1—Re3—Re4 | 58.490 (11) |
| P1—C14—H14A | 108.5 | Se2—Re3—Re4 | 58.294 (11) |
| C15—C14—H14B | 108.5 | Se6—Re3—Re4 | 117.994 (12) |
| P1—C14—H14B | 108.5 | P2—Re3—Re5 | 135.51 (3) |
| H14A—C14—H14B | 107.5 | Se7—Re3—Re5 | 118.400 (11) |
| C14—C15—H15A | 109.5 | Se1—Re3—Re5 | 58.531 (10) |
| C14—C15—H15B | 109.5 | Se2—Re3—Re5 | 118.002 (12) |
| H15A—C15—H15B | 109.5 | Se6—Re3—Re5 | 58.303 (11) |
| C14—C15—H15C | 109.5 | Re4—Re3—Re5 | 59.712 (6) |
| H15A—C15—H15C | 109.5 | P2—Re3—Re6 | 134.50 (3) |
| H15B—C15—H15C | 109.5 | Se7—Re3—Re6 | 58.431 (11) |
| C17—C16—P1 | 115.9 (3) | Se1—Re3—Re6 | 118.228 (12) |
| C17—C16—H16A | 108.3 | Se2—Re3—Re6 | 58.456 (11) |
| P1—C16—H16A | 108.3 | Se6—Re3—Re6 | 118.343 (12) |
| C17—C16—H16B | 108.3 | Re4—Re3—Re6 | 59.741 (6) |
| P1—C16—H16B | 108.3 | Re5—Re3—Re6 | 89.931 (7) |
| H16A—C16—H16B | 107.4 | P2—Re3—Re2 | 133.10 (3) |
| C16—C17—H17A | 109.5 | Se7—Re3—Re2 | 58.376 (11) |
| C16—C17—H17B | 109.5 | Se1—Re3—Re2 | 118.558 (12) |
| H17A—C17—H17B | 109.5 | Se2—Re3—Re2 | 118.508 (12) |
| C16—C17—H17C | 109.5 | Se6—Re3—Re2 | 58.290 (11) |
| H17A—C17—H17C | 109.5 | Re4—Re3—Re2 | 89.692 (8) |
| H17B—C17—H17C | 109.5 | Re5—Re3—Re2 | 60.040 (7) |
| C13—C18—P1 | 116.6 (4) | Re6—Re3—Re2 | 60.072 (6) |
| C13—C18—H18A | 108.1 | N1—Re4—Se2 | 92.72 (10) |
| P1—C18—H18A | 108.1 | N1—Re4—Se4 | 90.55 (10) |
| C13—C18—H18B | 108.1 | Se2—Re4—Se4 | 176.729 (15) |
| P1—C18—H18B | 108.1 | N1—Re4—Se3 | 93.89 (10) |
| H18A—C18—H18B | 107.3 | Se2—Re4—Se3 | 90.179 (14) |
| C20—C19—P4 | 114.1 (3) | Se4—Re4—Se3 | 89.663 (14) |
| C20—C19—H19A | 108.7 | N1—Re4—Se1 | 89.41 (10) |
| P4—C19—H19A | 108.7 | Se2—Re4—Se1 | 89.388 (14) |
| C20—C19—H19B | 108.7 | Se4—Re4—Se1 | 90.582 (14) |
| P4—C19—H19B | 108.7 | Se3—Re4—Se1 | 176.691 (14) |
| H19A—C19—H19B | 107.6 | N1—Re4—Re5 | 132.32 (10) |
| C19—C20—H20A | 109.5 | Se2—Re4—Re5 | 118.699 (12) |
| C19—C20—H20B | 109.5 | Se4—Re4—Re5 | 58.682 (11) |
| H20A—C20—H20B | 109.5 | Se3—Re4—Re5 | 118.853 (11) |
| C19—C20—H20C | 109.5 | Se1—Re4—Re5 | 58.669 (11) |
| H20A—C20—H20C | 109.5 | N1—Re4—Re6 | 137.14 (10) |
| H20B—C20—H20C | 109.5 | Se2—Re4—Re6 | 58.701 (11) |
| C22—C21—P4 | 115.6 (4) | Se4—Re4—Re6 | 118.604 (11) |
| C22—C21—H21A | 108.4 | Se3—Re4—Re6 | 58.516 (11) |
| P4—C21—H21A | 108.4 | Se1—Re4—Re6 | 118.608 (12) |
| C22—C21—H21B | 108.4 | Re5—Re4—Re6 | 90.533 (8) |
| P4—C21—H21B | 108.4 | N1—Re4—Re1 | 135.52 (10) |
| H21A—C21—H21B | 107.4 | Se2—Re4—Re1 | 118.887 (12) |
| C21—C22—H22A | 109.5 | Se4—Re4—Re1 | 58.411 (11) |
| C21—C22—H22B | 109.5 | Se3—Re4—Re1 | 58.465 (11) |
| H22A—C22—H22B | 109.5 | Se1—Re4—Re1 | 119.047 (12) |
| C21—C22—H22C | 109.5 | Re5—Re4—Re1 | 60.396 (7) |
| H22A—C22—H22C | 109.5 | Re6—Re4—Re1 | 60.198 (7) |
| H22B—C22—H22C | 109.5 | N1—Re4—Re3 | 133.98 (10) |
| C24—C23—P4 | 116.5 (4) | Se2—Re4—Re3 | 58.478 (10) |
| C24—C23—H23A | 108.2 | Se4—Re4—Re3 | 118.890 (11) |
| P4—C23—H23A | 108.2 | Se3—Re4—Re3 | 118.772 (11) |
| C24—C23—H23B | 108.2 | Se1—Re4—Re3 | 58.346 (10) |
| P4—C23—H23B | 108.2 | Re5—Re4—Re3 | 60.225 (7) |
| H23A—C23—H23B | 107.3 | Re6—Re4—Re3 | 60.266 (7) |
| C23—C24—H24A | 109.5 | Re1—Re4—Re3 | 90.408 (8) |
| C23—C24—H24B | 109.5 | P5—Re5—Se5 | 93.02 (3) |
| H24A—C24—H24B | 109.5 | P5—Re5—Se6 | 90.98 (3) |
| C23—C24—H24C | 109.5 | Se5—Re5—Se6 | 89.788 (15) |
| H24A—C24—H24C | 109.5 | P5—Re5—Se4 | 93.03 (3) |
| H24B—C24—H24C | 109.5 | Se5—Re5—Se4 | 89.543 (14) |
| C26—C25—P2 | 116.2 (4) | Se6—Re5—Se4 | 175.969 (14) |
| C26—C25—H25A | 108.2 | P5—Re5—Se1 | 90.99 (3) |
| P2—C25—H25A | 108.2 | Se5—Re5—Se1 | 175.990 (15) |
| C26—C25—H25B | 108.2 | Se6—Re5—Se1 | 90.015 (15) |
| P2—C25—H25B | 108.2 | Se4—Re5—Se1 | 90.374 (15) |
| H25A—C25—H25B | 107.4 | P5—Re5—Re4 | 135.00 (3) |
| C25—C26—H26A | 109.5 | Se5—Re5—Re4 | 118.239 (12) |
| C25—C26—H26B | 109.5 | Se6—Re5—Re4 | 118.553 (12) |
| H26A—C26—H26B | 109.5 | Se4—Re5—Re4 | 58.488 (11) |
| C25—C26—H26C | 109.5 | Se1—Re5—Re4 | 58.525 (11) |
| H26A—C26—H26C | 109.5 | P5—Re5—Re3 | 133.52 (3) |
| H26B—C26—H26C | 109.5 | Se5—Re5—Re3 | 118.448 (12) |
| C28—C27—P2 | 116.3 (4) | Se6—Re5—Re3 | 58.511 (10) |
| C28—C27—H27A | 108.2 | Se4—Re5—Re3 | 118.534 (11) |
| P2—C27—H27A | 108.2 | Se1—Re5—Re3 | 58.245 (11) |
| C28—C27—H27B | 108.2 | Re4—Re5—Re3 | 60.063 (6) |
| P2—C27—H27B | 108.2 | P5—Re5—Re2 | 135.05 (3) |
| H27A—C27—H27B | 107.4 | Se5—Re5—Re2 | 58.377 (11) |
| C27—C28—H28A | 109.5 | Se6—Re5—Re2 | 58.369 (11) |
| C27—C28—H28B | 109.5 | Se4—Re5—Re2 | 118.063 (12) |
| H28A—C28—H28B | 109.5 | Se1—Re5—Re2 | 118.314 (12) |
| C27—C28—H28C | 109.5 | Re4—Re5—Re2 | 89.919 (8) |
| H28A—C28—H28C | 109.5 | Re3—Re5—Re2 | 60.083 (6) |
| H28B—C28—H28C | 109.5 | P5—Re5—Re1 | 136.44 (3) |
| C30—C29—P2 | 115.2 (4) | Se5—Re5—Re1 | 58.345 (11) |
| C30—C29—H29A | 108.5 | Se6—Re5—Re1 | 118.252 (11) |
| P2—C29—H29A | 108.5 | Se4—Re5—Re1 | 58.179 (10) |
| C30—C29—H29B | 108.5 | Se1—Re5—Re1 | 118.413 (12) |
| P2—C29—H29B | 108.5 | Re4—Re5—Re1 | 59.905 (6) |
| H29A—C29—H29B | 107.5 | Re3—Re5—Re1 | 90.032 (7) |
| C29—C30—H30A | 109.5 | Re2—Re5—Re1 | 59.892 (7) |
| C29—C30—H30B | 109.5 | P4—Re6—Se8 | 91.62 (3) |
| H30A—C30—H30B | 109.5 | P4—Re6—Se3 | 90.53 (3) |
| C29—C30—H30C | 109.5 | Se8—Re6—Se3 | 90.011 (14) |
| H30A—C30—H30C | 109.5 | P4—Re6—Se7 | 93.56 (3) |
| H30B—C30—H30C | 109.5 | Se8—Re6—Se7 | 89.731 (14) |
| N1—C31—C32 | 174.3 (5) | Se3—Re6—Se7 | 175.909 (14) |
| C31—C32—C34 | 109.2 (4) | P4—Re6—Se2 | 92.58 (3) |
| C31—C32—C33 | 107.7 (4) | Se8—Re6—Se2 | 175.794 (14) |
| C34—C32—C33 | 111.8 (5) | Se3—Re6—Se2 | 89.961 (15) |
| C31—C32—C35 | 107.0 (4) | Se7—Re6—Se2 | 89.997 (15) |
| C34—C32—C35 | 110.5 (5) | P4—Re6—Re4 | 134.44 (3) |
| C33—C32—C35 | 110.6 (5) | Se8—Re6—Re4 | 118.303 (12) |
| C32—C33—H33A | 109.5 | Se3—Re6—Re4 | 58.538 (11) |
| C32—C33—H33B | 109.5 | Se7—Re6—Re4 | 118.180 (12) |
| H33A—C33—H33B | 109.5 | Se2—Re6—Re4 | 58.323 (11) |
| C32—C33—H33C | 109.5 | P4—Re6—Re1 | 133.65 (3) |
| H33A—C33—H33C | 109.5 | Se8—Re6—Re1 | 58.370 (10) |
| H33B—C33—H33C | 109.5 | Se3—Re6—Re1 | 58.386 (10) |
| C32—C34—H34A | 109.5 | Se7—Re6—Re1 | 118.212 (11) |
| C32—C34—H34B | 109.5 | Se2—Re6—Re1 | 118.266 (12) |
| H34A—C34—H34B | 109.5 | Re4—Re6—Re1 | 59.954 (6) |
| C32—C34—H34C | 109.5 | P4—Re6—Re3 | 136.23 (3) |
| H34A—C34—H34C | 109.5 | Se8—Re6—Re3 | 118.242 (11) |
| H34B—C34—H34C | 109.5 | Se3—Re6—Re3 | 118.521 (11) |
| C32—C35—H35A | 109.5 | Se7—Re6—Re3 | 58.208 (10) |
| C32—C35—H35B | 109.5 | Se2—Re6—Re3 | 58.265 (11) |
| H35A—C35—H35B | 109.5 | Re4—Re6—Re3 | 59.993 (7) |
| C32—C35—H35C | 109.5 | Re1—Re6—Re3 | 90.109 (7) |
| H35A—C35—H35C | 109.5 | P4—Re6—Re2 | 135.72 (3) |
| H35B—C35—H35C | 109.5 | Se8—Re6—Re2 | 58.239 (11) |
| C40—C36—C39 | 132.9 (19) | Se3—Re6—Re2 | 118.312 (12) |
| C40—C36—C38 | 90.2 (19) | Se7—Re6—Re2 | 58.286 (11) |
| C39—C36—C38 | 119.0 (10) | Se2—Re6—Re2 | 118.257 (12) |
| C40—C36—C37 | 106.9 (15) | Re4—Re6—Re2 | 89.802 (8) |
| C39—C36—C37 | 100.2 (10) | Re1—Re6—Re2 | 59.939 (6) |
| C38—C36—C37 | 105.2 (11) | Re3—Re6—Re2 | 60.012 (6) |
| C36—C37—H37A | 109.5 | F1—Sb1—F5 | 89.4 (5) |
| C36—C37—H37B | 109.5 | F1—Sb1—F3 | 91.1 (5) |
| H37A—C37—H37B | 109.5 | F5—Sb1—F3 | 179.5 (5) |
| C36—C37—H37C | 109.5 | F1—Sb1—F6 | 88.7 (3) |
| H37A—C37—H37C | 109.5 | F5—Sb1—F6 | 90.7 (4) |
| H37B—C37—H37C | 109.5 | F3—Sb1—F6 | 89.3 (4) |
| C36—C38—H38A | 109.5 | F1—Sb1—F2 | 91.6 (3) |
| C36—C38—H38B | 109.5 | F5—Sb1—F2 | 90.8 (3) |
| H38A—C38—H38B | 109.5 | F3—Sb1—F2 | 89.1 (3) |
| C36—C38—H38C | 109.5 | F6—Sb1—F2 | 178.4 (3) |
| H38A—C38—H38C | 109.5 | F1—Sb1—F4 | 179.2 (3) |
| H38B—C38—H38C | 109.5 | F5—Sb1—F4 | 90.3 (5) |
| C36—C39—H39A | 109.5 | F3—Sb1—F4 | 89.1 (4) |
| C36—C39—H39B | 109.5 | F6—Sb1—F4 | 90.6 (3) |
| H39A—C39—H39B | 109.5 | F2—Sb1—F4 | 89.1 (2) |
| C36—C39—H39C | 109.5 | F11—Sb2—F10 | 91.2 (2) |
| H39A—C39—H39C | 109.5 | F11—Sb2—F12 | 89.6 (2) |
| H39B—C39—H39C | 109.5 | F10—Sb2—F12 | 90.7 (2) |
| N2—C40—C36 | 138 (5) | F11—Sb2—F7 | 91.7 (2) |
| C31—N1—Re4 | 170.0 (4) | F10—Sb2—F7 | 176.8 (2) |
| C18—P1—C16 | 105.1 (2) | F12—Sb2—F7 | 90.78 (17) |
| C18—P1—C14 | 104.4 (2) | F11—Sb2—F8 | 179.2 (3) |
| C16—P1—C14 | 101.1 (2) | F10—Sb2—F8 | 88.6 (2) |
| C18—P1—Re1 | 113.18 (16) | F12—Sb2—F8 | 91.2 (2) |
| C16—P1—Re1 | 115.75 (16) | F7—Sb2—F8 | 88.5 (2) |
| C14—P1—Re1 | 115.83 (15) | F11—Sb2—F9 | 89.3 (2) |
| C25—P2—C29 | 105.2 (3) | F10—Sb2—F9 | 90.5 (2) |
| C25—P2—C27 | 105.3 (2) | F12—Sb2—F9 | 178.4 (2) |
| C29—P2—C27 | 100.2 (2) | F7—Sb2—F9 | 88.10 (17) |
| C25—P2—Re3 | 112.62 (16) | F8—Sb2—F9 | 89.9 (2) |
| C29—P2—Re3 | 116.10 (16) | Re3—Se1—Re4 | 63.164 (12) |
| C27—P2—Re3 | 115.91 (16) | Re3—Se1—Re5 | 63.224 (11) |
| C10—P3—C12 | 105.2 (3) | Re4—Se1—Re5 | 62.806 (11) |
| C10—P3—C7 | 105.7 (2) | Re4—Se2—Re3 | 63.228 (11) |
| C12—P3—C7 | 101.1 (2) | Re4—Se2—Re6 | 62.976 (11) |
| C10—P3—Re2 | 113.02 (16) | Re3—Se2—Re6 | 63.279 (11) |
| C12—P3—Re2 | 114.80 (16) | Re1—Se3—Re6 | 63.209 (11) |
| C7—P3—Re2 | 115.75 (16) | Re1—Se3—Re4 | 63.028 (11) |
| C23—P4—C21 | 105.2 (2) | Re6—Se3—Re4 | 62.945 (10) |
| C23—P4—C19 | 101.2 (2) | Re1—Se4—Re4 | 63.084 (10) |
| C21—P4—C19 | 104.5 (2) | Re1—Se4—Re5 | 63.358 (11) |
| C23—P4—Re6 | 116.11 (18) | Re4—Se4—Re5 | 62.830 (10) |
| C21—P4—Re6 | 113.55 (15) | Re5—Se5—Re1 | 63.547 (12) |
| C19—P4—Re6 | 114.80 (16) | Re5—Se5—Re2 | 63.520 (11) |
| C2—P5—C5 | 101.4 (2) | Re1—Se5—Re2 | 63.320 (11) |
| C2—P5—C3 | 105.3 (2) | Re5—Se6—Re2 | 63.349 (10) |
| C5—P5—C3 | 105.4 (2) | Re5—Se6—Re3 | 63.186 (11) |
| C2—P5—Re5 | 114.95 (17) | Re2—Se6—Re3 | 63.301 (11) |
| C5—P5—Re5 | 115.96 (15) | Re3—Se7—Re2 | 63.440 (10) |
| C3—P5—Re5 | 112.57 (15) | Re3—Se7—Re6 | 63.361 (11) |
| P1—Re1—Se4 | 91.41 (3) | Re2—Se7—Re6 | 63.399 (10) |
| P1—Re1—Se5 | 92.39 (3) | Re2—Se8—Re1 | 63.317 (11) |
| Se4—Re1—Se5 | 89.573 (15) | Re2—Se8—Re6 | 63.499 (11) |
| P1—Re1—Se8 | 92.54 (3) | Re1—Se8—Re6 | 63.256 (11) |
| Se4—Re1—Se8 | 176.044 (14) |