Information card for entry 4322751

Structure parameters

• Common name: Pentachloro-tris(dimethylphenylphosphine)-di-rhenium, 1,3,6-isomer
• Chemical name: Pentachloro-tris(dimethylphenylphosphine)-di-rhenium
• Formula: C24 H33 Cl5 P3 Re2
• Calculated formula: C24 H33 Cl5 P3 Re2
• SMILES: [Re]([Re]([P](C)(C)c1ccccc1)(Cl)(Cl)Cl)([P](C)(C)c1ccccc1)([P](C)(C)c1ccccc1)(Cl)Cl
• Title of publication: Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 2. New Reactions Involving Dimethylphenylphosphine
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1949 - 1958
• a: 11.202 ± 0.004 Å
• b: 14.357 ± 0.006 Å
• c: 19.509 ± 0.005 Å
• α: 90°
• β: 97.84 ± 0.03°
• γ: 90°
• Cell volume: 3108.2 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections: 0.1525
• Weighted residual factors for significantly intense reflections: 0.1427
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No