Information card for entry 4320717

Structure parameters

• Chemical name: Tetrachloro-bis-trimethylphosphine-rhenium(III), cis-isomer, cobaltocenium salt
• Formula: C16 H28 Cl4 Co P2 Re
• Calculated formula: C16 H28 Cl4 Co P2 Re
• SMILES: [Re]([P](C)(C)C)([P](C)(C)C)(Cl)(Cl)(Cl)Cl.[Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 13.52 ± 0.001 Å
• b: 12.6811 ± 0.0008 Å
• c: 14.055 ± 0.001 Å
• α: 90°
• β: 97.567 ± 0.007°
• γ: 90°
• Cell volume: 2388.7 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.0767
• Goodness-of-fit parameter for all reflections: 1.125
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No