Information card for entry 2007825

Structure parameters

• Common name: mer-(triphenylphosphine)(triphenylphosphine oxide)trichlorooxorhenium(V)
• Formula: C36 H30 Cl3 O2 P2 Re
• Calculated formula: C36 H30 Cl3 O2 P2 Re
• SMILES: [Re](Cl)(Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=O)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Trichlorooxo(triphenylphosphine)(triphenylphosphine oxide)rhenium(V)
• Authors of publication: Bryan, Jeffrey C.; Perry, Marc C.; Arterburn, Jeffrey B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1607 - 1608
• a: 18.797 ± 0.002 Å
• b: 9.5553 ± 0.0006 Å
• c: 19.4819 ± 0.0013 Å
• α: 90°
• β: 109.574 ± 0.006°
• γ: 90°
• Cell volume: 3296.9 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.0986
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes