Information card for entry 4322140

Structure parameters

• Chemical name: trans-Tetrachloro-bis(triethylphosphine)-rhenium (IV)
• Formula: C12 H30 Cl4 P2 Re
• Calculated formula: C12 H30 Cl4 P2 Re
• SMILES: C(C)[P](CC)([Re]([P](CC)(CC)CC)(Cl)(Cl)(Cl)Cl)CC
• 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: 8.0555 ± 0.0004 Å
• b: 12.536 ± 0.002 Å
• c: 10.2041 ± 0.0006 Å
• α: 90°
• β: 99.167 ± 0.009°
• γ: 90°
• Cell volume: 1017.29 ± 0.18 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: 0.033
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.079
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No