Information card for entry 4322139

Structure parameters

• Chemical name: trans-Tetrachloro-bis(tripropylphosphine)-rhenium (IV)
• Formula: C18 H42 Cl4 P2 Re
• Calculated formula: C18 H42 Cl4 P2 Re
• SMILES: C(CC)[P](CCC)([Re](Cl)(Cl)([P](CCC)(CCC)CCC)(Cl)Cl)CCC
• 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: 8.219 ± 0.002 Å
• b: 11.21 ± 0.001 Å
• c: 14.331 ± 0.003 Å
• α: 90°
• β: 93.171 ± 0.009°
• γ: 90°
• Cell volume: 1318.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.065
• Goodness-of-fit parameter for all reflections: 1.145
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No