Information card for entry 7001150

Structure parameters

• Formula: C12 H21 Cl N2 O P Rh
• Calculated formula: C12 H21 Cl N2 O P Rh
• SMILES: [Rh]1(Cl)([P](Cc2[n]1ccn2C)(C(C)C)C(C)C)C#[O]
• Title of publication: Rhodium(I) and iridium(I) complexes containing bidentate phosphine-imidazolyl donor ligands as catalysts for the hydroamination and hydrothiolation of alkynes
• Authors of publication: Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3599 - 3614
• a: 16.711 ± 0.007 Å
• b: 7.318 ± 0.003 Å
• c: 12.865 ± 0.005 Å
• α: 90°
• β: 98.043 ± 0.006°
• γ: 90°
• Cell volume: 1557.8 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No