Information card for entry 4115255

Structure parameters

• Formula: C29 H27 Cl2 F3 I Ir O4 P2 S2
• Calculated formula: C29 H27 Cl2 F3 I Ir O4 P2 S2
• 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: 10.7366 ± 0.0009 Å
• b: 15.6551 ± 0.0013 Å
• c: 20.1261 ± 0.0016 Å
• α: 90°
• β: 94.248 ± 0.002°
• γ: 90°
• Cell volume: 3373.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No