Information card for entry 7005383

Structure parameters

• Formula: C25 H44 I O P2 Rh
• Calculated formula: C25 H44 I O P2 Rh
• SMILES: [Rh]1(I)([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: 12.2158 ± 0.0012 Å
• b: 12.7064 ± 0.0013 Å
• c: 19.6855 ± 0.0019 Å
• α: 102.122 ± 0.002°
• β: 106.79 ± 0.002°
• γ: 100.582 ± 0.002°
• Cell volume: 2760.9 ± 0.5 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: 0.0619
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No