Information card for entry 4115256

Structure parameters

• Formula: C29 H28 I2 N O2 P2 Rh
• Calculated formula: C29 H28 I2 N O2 P2 Rh
• SMILES: [Rh]1([N]#CC)(I)(I)([P](c2ccccc2)(c2ccccc2)CP(=[O]1)(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: 10.096 ± 0.002 Å
• b: 14.489 ± 0.003 Å
• c: 20.967 ± 0.004 Å
• α: 90°
• β: 99.76 ± 0.03°
• γ: 90°
• Cell volume: 3022.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1479
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No