Information card for entry 4115253

Structure parameters

• Formula: C28 H27 I2 O P2 Rh
• Calculated formula: C28 H27 I2 O P2 Rh
• SMILES: [Rh]1(I)(I)([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C
• Title of publication: Steric and Electronic Effects on the Reactivity of Rh and Ir Complexes Containing P-S, P-P, and P-O Ligands. Implications for the Effects of Chelate Ligands in Catalysis
• Authors of publication: Luca Gonsalvi; Harry Adams; Glenn J. Sunley; Evert Ditzel; Anthony Haynes
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13597 - 13612
• a: 9.155 ± 0.004 Å
• b: 10.436 ± 0.004 Å
• c: 14.964 ± 0.007 Å
• α: 92.53 ± 0.04°
• β: 93.83 ± 0.02°
• γ: 100.34 ± 0.03°
• Cell volume: 1401 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.1659
• Weighted residual factors for significantly intense reflections: 0.1117
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No