Information card for entry 4322750

Structure parameters

• Common name: Pentachloro-tris(dimethylphenylphosphine)-di-rhenium, 1,2,7-isomer
• Chemical name: Pentachloro-tris(dimethylphenylphosphine)-di-rhenium
• Formula: C24 H33 Cl5 P3 Re2
• Calculated formula: C24 H33 Cl5 P3 Re2
• SMILES: [Re]([Re](Cl)(Cl)(Cl)[P](C)(C)c1ccccc1)(Cl)(Cl)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1
• 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: 9.35 ± 0.003 Å
• b: 11.102 ± 0.001 Å
• c: 14.558 ± 0.003 Å
• α: 101.34 ± 0.02°
• β: 92.81 ± 0.02°
• γ: 90.8 ± 0.02°
• Cell volume: 1479.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for all reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.0605
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No