Information card for entry 4088024

Structure parameters

• Formula: C48 H59 B3 Cl2 F12 N7 P2 Rh
• Calculated formula: C45 H54 B3 F12 N6 P2 Rh
• Title of publication: Synthesis, Isomerization, and Catalytic Transfer Hydrogenation Activity of Rhodium(III) Complexes Containing Both Chelating Dicarbenes and Diphosphine Ligands
• Authors of publication: Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5723
• a: 13.3773 ± 0.0001 Å
• b: 24.026 ± 0.0003 Å
• c: 16.9704 ± 0.0002 Å
• α: 90°
• β: 97.94 ± 0.0008°
• γ: 90°
• Cell volume: 5402.05 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No