Information card for entry 7012833

Structure parameters

• Formula: C41 H34 Cl O5 P2 Rh
• Calculated formula: C41 H34 Cl O5 P2 Rh
• SMILES: [Rh](C#[O])(Cl)([P](c1ccccc1)(c1ccccc1)c1c(cccc1)C(=O)OC)[P](c1ccccc1)(c1ccccc1)c1c(cccc1)C(=O)OC
• Title of publication: An alternative strategy to an electron rich phosphine based carbonylation catalyst
• Authors of publication: Dutta, Dipak K.; Woollins, J. Derek; Slawin, Alexandra M. Z.; Konwar, Dilip; Das, Pankaj; Sharma, Manab; Bhattacharyya, Pravat; Aucott, Stephen M.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 2674 - 2679
• a: 9.233 ± 0.0018 Å
• b: 9.5526 ± 0.0018 Å
• c: 11.657 ± 0.002 Å
• α: 109.932 ± 0.003°
• β: 108.346 ± 0.003°
• γ: 96.835 ± 0.004°
• Cell volume: 887.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No