Information card for entry 4320718

Structure parameters

• Chemical name: Tris-(mu-chloro)-bis-chloro-tetrakis-trimethylphosphine- di-rhenium(II,III)
• Formula: C12 H36 Cl5 P4 Re2
• Calculated formula: C12 H36 Cl5 P4 Re2
• SMILES: [Re]123([Re]([P](C)(C)C)([P](C)(C)C)([Cl]1)([Cl]2)([Cl]3)Cl)([P](C)(C)C)([P](C)(C)C)Cl
• Title of publication: Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 10. Redox Reactions of an Edge-Sharing Dirhenium(III) Non-metal-Metal-Bonded Complex, Re2(μ-Cl)2Cl4(PMe3)4
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6825 - 6831
• a: 9.377 ± 0.002 Å
• b: 13.071 ± 0.002 Å
• c: 10.818 ± 0.002 Å
• α: 90°
• β: 94.65 ± 0.02°
• γ: 90°
• Cell volume: 1321.6 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.1642
• Weighted residual factors for significantly intense reflections: 0.1625
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No