Information card for entry 4077026

Structure parameters

• Formula: C13 H32 O P3 Rh
• Calculated formula: C13 H32 O P3 Rh
• SMILES: [Rh]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[CH2]=[CH]1C2C=O
• Title of publication: Oxapentadienyl−Rhodium−Phosphine Chemistry1
• Authors of publication: Bleeke, John R.; Donnay, Edward; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4099
• a: 19.1117 ± 0.0002 Å
• b: 8.2583 ± 0.0001 Å
• c: 12.0811 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1906.76 ± 0.04 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No