Information card for entry 7005382

Structure parameters

• Formula: C25 H44 Cl O P2 Rh
• Calculated formula: C25 H44 Cl O P2 Rh
• SMILES: [Rh]1(Cl)([P](Cc2c(cccc2)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: Rhodium catalysed methanol carbonylation in the presence of bis(ditertiarybutylphosphinomethyl)benzene
• Authors of publication: Jimenez-Rodriguez, Cristina; Pogorzelec, Peter J.; Eastham, Graham R.; Slawin, Alexandra M. Z.; Cole-Hamilton, David J.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 4160
• a: 8.476 ± 0.003 Å
• b: 10.474 ± 0.004 Å
• c: 16.257 ± 0.006 Å
• α: 77.071 ± 0.007°
• β: 75.674 ± 0.007°
• γ: 74.635 ± 0.006°
• Cell volume: 1328.9 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.764
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No