Information card for entry 4322142

Structure parameters

• Chemical name: Pentachloro-tris(tripropylphosphine)-di-rhenium (II,III), 1,3,6- isomer, hexane solvate
• Formula: C28.5 H66.5 Cl5 P3 Re2
• Calculated formula: C28.5 H63 Cl5 P3 Re2.0026
• Title of publication: Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 5. Reduction or Disproportionation at the Re26+ Unit in Reactions with Tertiary Phosphines in Different Solvents
• 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: 3384 - 3389
• a: 11.7679 ± 0.0009 Å
• b: 18.574 ± 0.005 Å
• c: 19.688 ± 0.004 Å
• α: 90°
• β: 93.37 ± 0.02°
• γ: 90°
• Cell volume: 4295.9 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections: 0.1123
• Weighted residual factors for significantly intense reflections: 0.1048
• Goodness-of-fit parameter for all reflections: 1.148
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No