Information card for entry 4071041

Structure parameters

• Common name: smkvi5
• Chemical name: smkvi5
• Formula: C24 H46 N P2 Rh
• Calculated formula: C24 H46 N P2 Rh
• SMILES: [Rh]12([P](Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C
• Title of publication: C−H Bond Activation by Rhodium(I) Phenoxide and Acetate Complexes: Mechanism of H−D Exchange between Arenes and Water
• Authors of publication: Hanson, Susan Kloek; Heinekey, D. Michael; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1454
• a: 13.052 ± 0.0004 Å
• b: 13.841 ± 0.0005 Å
• c: 14.526 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2624.16 ± 0.16 ų
• Cell temperature: 131 ± 2 K
• Ambient diffraction temperature: 131 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No