Information card for entry 4323865

Structure parameters

• Common name: Pentachloro-tris(1,2,7-)-trimethylphosphino- dirhenium (II, III)-tetrabutylammonium chloride
• Chemical name: Pentachloro-tris(1,2,7-)-trimethylphosphino- dirhenium (II, III)-tetrabutylammonium chloride
• Formula: C25 H63 Cl6 N P3 Re2
• Calculated formula: C25 H63 Cl6 N P3 Re2
• SMILES: [Re]([Re](Cl)(Cl)(Cl)[P](C)(C)C)(Cl)(Cl)([P](C)(C)C)[P](C)(C)C.[Cl-].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Further Studies of the Isomeric 1,2,7- and 1,3,6-Re2Cl5(PMe3)3 Compounds
• Authors of publication: F. Albert Cotton; Evgeny V. Dikarev
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 4738 - 4742
• a: 8.911 ± 0.002 Å
• b: 10.686 ± 0.002 Å
• c: 10.979 ± 0.003 Å
• α: 101.12 ± 0.02°
• β: 106.82 ± 0.02°
• γ: 91.29 ± 0.02°
• Cell volume: 978.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections: 0.1441
• Weighted residual factors for significantly intense reflections: 0.1392
• Goodness-of-fit parameter for all reflections: 1.125
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No