Information card for entry 4320431

Structure parameters

• Chemical name: Heptachloro-trimethylphosphine-di-rhenate(III,III), octachloro-di-rhenate(III,III), tetra-n-butylammonium salt, dichloromethane solvate
• Formula: C72 H166 Cl26 N4 P2 Re6
• Calculated formula: C72 H166 Cl26 N4 P2 Re5.9988
• Title of publication: Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 8. Synthesis and Crystal Structure of the Quadruply Bonded Dirhenium(III) Anion [Re2Cl7(PMe3)]-
• 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: 5716 - 5718
• a: 15.813 ± 0.004 Å
• b: 17.804 ± 0.005 Å
• c: 40.935 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11525 ± 5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.0925
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections: 0.1597
• Weighted residual factors for significantly intense reflections: 0.1459
• Goodness-of-fit parameter for all reflections: 1.148
• Goodness-of-fit parameter for significantly intense reflections: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No