Information card for entry 4070880

Structure parameters

• Chemical name: [trans(ethylene-hydrido)-trans(nitrosyl-tetrafluoroborane)- trans-bis(tricyclohexylphosphine)rhenium] toluene solvate
• Formula: C83 H150 B2 F8 N2 O2 P4 Re2
• Calculated formula: C83 H150 B2 F8 N2 O2 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: 35.9176 ± 0.0015 Å
• b: 12.8715 ± 0.0006 Å
• c: 18.6666 ± 0.0007 Å
• α: 90°
• β: 99.542 ± 0.005°
• γ: 90°
• Cell volume: 8510.4 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 8
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.729
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No