Information card for entry 4064417

Structure parameters

• Chemical name: Acetonitrile-dibromo-(2,2'-bis(diphenylphosphino)diphenylether-P,P')-nitrosyl-rhenium(I) dichloromethane tetrahydrofuran solvate
• Formula: C80.33 H70.67 Br4 Cl0.67 N4 O5 P4 Re2
• Calculated formula: C80.34 H70.68 Br4 Cl0.68 N4 O5 P4 Re2
• Title of publication: Rhenium Nitrosyl Complexes Bearing Large-Bite-Angle Diphosphines
• Authors of publication: Dudle, Balz; Rajesh, Kunjanpillai; Blacque, Olivier; Berke, Heinz
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 2986
• a: 44.9814 ± 0.0005 Å
• b: 44.9814 ± 0.0005 Å
• c: 11.4942 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20140.7 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No