Information card for entry 4117096

Structure parameters

• Common name: Bis(μ2-chloro)-tetrachloro-tetrakis(trimethylphosphine)- -di-rhenium (III)
• Chemical name: Bis((μ2-chloro)-bis(dichloro-bis(trimethylphosphine))-di- rhenium (III)
• Formula: C12 H36 Cl6 P4 Re2
• Calculated formula: C12 H36 Cl6 P4 Re2
• SMILES: C[P](C)(C)[Re]1([P](C)(C)C)(Cl)(Cl)[Cl][Re]([P](C)(C)C)([P](C)(C)C)([Cl]1)(Cl)Cl
• Title of publication: Mixed Chloride Phosphine Complexes of Dirhenium Cores. 1. New Reactions and Unprecedented Structures Involving Trimethylphosphine
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 12541 - 12549
• a: 15.627 ± 0.002 Å
• b: 10.872 ± 0.001 Å
• c: 16.462 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2796.8 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.0591
• Goodness-of-fit parameter for all reflections: 1.16
• Goodness-of-fit parameter for significantly intense reflections: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No