Information card for entry 4108617

Structure parameters

• Formula: C58 H78 B2 F24 N P2 Rh
• Calculated formula: C58 H78 B2 F24 N P2 Rh
• SMILES: [RhH2]1([P](CC(C)C)(CC(C)C)CC(C)C)([P](CC(C)C)(CC(C)C)CC(C)C)[H][BH]([H]1)[NH](C)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Amine-Borane σ-Complexes of Rhodium. Relevance to the Catalytic Dehydrogenation of Amine-Boranes
• Authors of publication: Thomas M. Douglas; Adrian B. Chaplin; Andrew S. Weller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14432 - 14433
• a: 21.0042 ± 0.0003 Å
• b: 18.2723 ± 0.0003 Å
• c: 37.9197 ± 0.0007 Å
• α: 90°
• β: 102.29 ± 0.0006°
• γ: 90°
• Cell volume: 14219.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.161
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No