Information card for entry 4106158

Structure parameters

• Chemical name: Bis[(μ~2~-deuterido)-bromo-(9,9-dimethyl-4,5-bis(diphenylphosphino)-9-\ silaxanthene-P,P')-nitrosyl-rhenium(I)] benzene dichloromethane solvate
• Formula: C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8
• Calculated formula: C318 H278 Br8 Cl16 D8 N8 O16 P16 Re8 Si8
• Title of publication: Rhenium in Homogeneous Catalysis: [ReBrH(NO)(labile ligand)(large-bite-angle diphosphine)] Complexes as Highly Active Catalysts in Olefin Hydrogenations
• Authors of publication: Balz Dudle; Kunjanpillai Rajesh; Olivier Blacque; Heinz Berke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8168 - 8178
• a: 50.5101 ± 0.0015 Å
• b: 13.0198 ± 0.0002 Å
• c: 30.8241 ± 0.001 Å
• α: 90°
• β: 123.84 ± 0.004°
• γ: 90°
• Cell volume: 16836.9 ± 1.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 10
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No