Information card for entry 4322225

Structure parameters

• Chemical name: Pentachloro-tris(tripropylphosphine)-di-rhenium (II, III), 1,3,6-isomer
• Formula: C27 H63 Cl5 P3 Re2
• Calculated formula: C27 H63 Cl5 P3 Re2.002
• Title of publication: Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 6. Rare or Unprecedented Isomers of [Re2Cl6(PR3)2] Stoichiometry
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3889 - 3894
• a: 11.0686 ± 0.0004 Å
• b: 11.0686 ± 0.0004 Å
• c: 28.069 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2978.1 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.1305
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No