Information card for entry 4077025

Structure parameters

• Formula: C10 H23 O P2 Rh
• Calculated formula: C10 H23 O P2 Rh
• SMILES: [Rh]12([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: 9.5849 ± 0.0003 Å
• b: 8.6359 ± 0.0002 Å
• c: 17.5278 ± 0.0005 Å
• α: 90°
• β: 95.6 ± 0.002°
• γ: 90°
• Cell volume: 1443.93 ± 0.07 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No