Information card for entry 4313774

Structure parameters

• Formula: C45 H57 B2 F12 N3 O2 P Rh
• Calculated formula: C45 H57 B2 F12 N3 O2 P Rh
• SMILES: [Rh]1234([P](c5ccccc5[C@H]([N]1(C)C)C)(c1ccccc1[C@H](N(C)C)C)c1ccccc1[C@H]([NH+](C)C)C)[CH]1C5c6c(F)c(F)c(F)c(F)c6C([CH]2=1)[CH]3=[CH]45.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=C(C)C.O
• Title of publication: Conformational Preferences Driven by the C-Methyl Substituent in Chelated o-Diphenylphosphino-α-methyl-N,N-dimethylbenzylamine Rhodium Complexes
• Authors of publication: M. Aránzazu Alonso; Juan A. Casares; Pablo Espinet; Katerina Soulantica; A. Guy Orpen; Hirihattaya Phetmung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3856 - 3864
• a: 12.0548 ± 0.0011 Å
• b: 16.139 ± 0.002 Å
• c: 12.1804 ± 0.001 Å
• α: 90°
• β: 100.742 ± 0.009°
• γ: 90°
• Cell volume: 2328.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.0668
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No