Information card for entry 1512960

Structure parameters

• Formula: C32 H30 O3 P Rh
• Calculated formula: C32 H30 O3 P Rh
• SMILES: [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Rh]1(OC(=CC(=[O]1)CCCC)c1ccccc1)C#[O]
• Title of publication: Conformational analysis of triphenylphosphine in square planar [Rh(beta-diketonato)(CO)(PPh3)] complexes. Crystal structure of [Rh(PhCOCHCO(CH2)3CH3)(CO)(PPh3)]
• Authors of publication: Nomampondomise F. Stuurman; Alfred Muller; Jeanet Conradie
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 395
• Pages of publication: 237 - 244
• a: 10.258 ± 0.0003 Å
• b: 25.388 ± 0.0008 Å
• c: 10.791 ± 0.0003 Å
• α: 90°
• β: 102.441 ± 0.001°
• γ: 90°
• Cell volume: 2744.31 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.339
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No