Information card for entry 7005381

Structure parameters

• Formula: C40 H68 Cl2 P2 Rh2
• Calculated formula: C40 H68 Cl2 P2 Rh2
• SMILES: [CH]12=[CH]3CC[CH]4=[CH]([Rh]134([P](C(C)(C)C)(C(C)(C)C)Cc1c(C[P](C(C)(C)C)(C(C)(C)C)[Rh]345([CH]6=[CH]3CC[CH]4=[CH]5CC6)Cl)cccc1)Cl)CC2
• 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: 32.3 ± 0.02 Å
• b: 9.811 ± 0.006 Å
• c: 14.041 ± 0.01 Å
• α: 90°
• β: 111.228 ± 0.016°
• γ: 90°
• Cell volume: 4148 ± 5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No