Information card for entry 7005384

Structure parameters

• Formula: C26 H50 I6 P2
• Calculated formula: C26 H50 I6 P2
• SMILES: I[I-]I.I[I-]I.[P+](Cc1c(cccc1)C[P+](C(C)(C)C)(C(C)(C)C)C)(C(C)(C)C)(C(C)(C)C)C
• 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: 9.9029 ± 0.0012 Å
• b: 11.3875 ± 0.0014 Å
• c: 34.978 ± 0.004 Å
• α: 87.539 ± 0.002°
• β: 86.579 ± 0.002°
• γ: 76.306 ± 0.002°
• Cell volume: 3823.8 ± 0.8 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No