Information card for entry 4070879

Structure parameters

• Chemical name: [Cis-dibromo-cis(acetonitrile-nitrosyl)trans-tris(p-toluene)phosphine] rhenium
• Formula: C44 H45 Br2 N2 O P2 Re
• Calculated formula: C44 H45 Br2 N2 O P2 Re
• Title of publication: Rhenium Nitrosyl Complexes for Hydrogenations and Hydrosilylations
• Authors of publication: Choualeb, A.; Maccaroni, E.; Blacque, O.; Schmalle, H. W.; Berke, H.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3474
• a: 10.834 ± 0.0013 Å
• b: 12.5413 ± 0.0015 Å
• c: 15.6724 ± 0.0018 Å
• α: 79.551 ± 0.014°
• β: 86.688 ± 0.014°
• γ: 76.017 ± 0.014°
• Cell volume: 2031.9 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No