Information card for entry 4070878

Structure parameters

• Chemical name: [Cis-dibromo-cis(acetonitrilo-nitrosyl)-trans-bis(tricyclohexyl- phosphine)rhenium] tetrahydrofurane sesquisolvate
• Formula: C88 H162 Br4 N4 O5 P4 Re2
• Calculated formula: C88 H162 Br4 N4 O5 P4 Re2
• 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: 9.9073 ± 0.0012 Å
• b: 14.117 ± 0.002 Å
• c: 17.523 ± 0.002 Å
• α: 106.501 ± 0.016°
• β: 93.603 ± 0.015°
• γ: 96.888 ± 0.016°
• Cell volume: 2320.8 ± 0.6 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: 0.0932
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.688
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No