Information card for entry 4070877

Structure parameters

• Chemical name: Cis-dibromo-nitrosyl-tris(acetonitrile)rhenium acetonitrile solvate
• Formula: C8 H12 Br2 N5 O Re
• Calculated formula: C8 H12 Br2 N5 O Re
• SMILES: [Re](Br)(Br)(N=O)([N]#CC)([N]#CC)[N]#CC.N#CC
• 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: 8.1046 ± 0.0013 Å
• b: 9.4947 ± 0.0015 Å
• c: 10.0314 ± 0.0017 Å
• α: 86.04 ± 0.02°
• β: 82.6 ± 0.02°
• γ: 85.37 ± 0.019°
• Cell volume: 761.7 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No