Information card for entry 2012727

Structure parameters

• Chemical name: Pentachloro-1κ^3^Cl,2κ^2^Cl-tris(diethylphenylphosphino)-1κP,2κ^2^P- dirhenium(II,III)(Re—Re)
• Formula: C30 H45 Cl5 P3 Re2
• Calculated formula: C30 H45 Cl5 P3 Re2
• SMILES: [Re]([Re](Cl)(Cl)(Cl)[P](c1ccccc1)(CC)CC)(Cl)(Cl)([P](c1ccccc1)(CC)CC)[P](c1ccccc1)(CC)CC
• Title of publication: Pentachloro-1,3,6-tris(diethylphenylphosphino)dirhenium(II,III)
• Authors of publication: Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m302 - m303
• a: 15.5374 ± 0.0007 Å
• b: 20.7751 ± 0.0009 Å
• c: 22.3924 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7228.1 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes