Information card for entry 7009156

Structure parameters

• Formula: C45 H44 Cl2 F6 N2 P3 Rh
• Calculated formula: C45 H44 Cl2 F6 N2 P3 Rh
• SMILES: [Rh]12345([C@H]6[C@@H]1CC[C@@H]2[C@@H]3CC6)P(c1ccccc1)(c1ccccc1)[C@@H](c1[n]4cccc1)[C@H](P5(c1ccccc1)c1ccccc1)c1ncccc1.P(F)(F)(F)(F)(F)F.C(Cl)Cl.[Rh]12345([C@@H]6[C@H]1CC[C@H]2[C@H]3CC6)P(c1ccccc1)(c1ccccc1)[C@H](c1[n]4cccc1)[C@@H](P5(c1ccccc1)c1ccccc1)c1ncccc1.P(F)(F)(F)(F)(F)F.C(Cl)Cl
• Title of publication: Dynamic coordinative exchange in rhodium(I) complexes of chiral diphosphines bearing pendant pyridyl donor groups
• Authors of publication: Bookham, Jonathan L.; Smithies, Darren M.; Pett, Mark Thornton
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 975
• a: 11.0292 ± 0.0002 Å
• b: 14.1653 ± 0.0003 Å
• c: 28.2016 ± 0.0005 Å
• α: 90°
• β: 101.015 ± 0.001°
• γ: 90°
• Cell volume: 4324.82 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No