Information card for entry 7002445

Structure parameters

• Formula: C24 H49 Cl Ir P2
• Calculated formula: C24 H49 Cl Ir P2
• SMILES: [Ir]12([P](C(C)(C)C)(C[C@H]3C2[C@@H](C[P]1(C(C)(C)C)C(C)(C)C)CCC3)C(C)(C)C)Cl
• Title of publication: Synthesis and characterisation of PCsp3P phosphine and phosphinite iridium complexes. Cyclometallation and dehydrogenation of a cyclohexyl ring
• Authors of publication: Arunachalampillai, Athimoolam; Olsson, Daniel; Wendt, Ola F.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8626 - 8630
• a: 12.3722 ± 0.0002 Å
• b: 15.0811 ± 0.0002 Å
• c: 28.6246 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5340.96 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No