Information card for entry 4115043

Structure parameters

• Formula: C40 H72 Cl4 P2 Rh2
• Calculated formula: C40 H72 Cl4 P2 Rh2
• SMILES: C([Rh]1([P](C(C)(C)C)(CCc2c(cccc2C)C)C(C)(C)C)(Cl)[Cl][Rh](CC)([P](C(C)(C)C)(C(C)(C)C)CCc2c(cccc2C)C)(Cl)[Cl]1)C
• Title of publication: An Unprecedented Dinuclear Alkylrhodium(III) Complex Built up by Two 14-Electron [RhCl2(alkyl)(PR3)] Units
• Authors of publication: Giuseppe Canepa; Carsten D. Brandt; Helmut Werner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9666 - 9667
• a: 10.0093 ± 0.0006 Å
• b: 15.4273 ± 0.0009 Å
• c: 14.009 ± 0.0008 Å
• α: 90°
• β: 92.758 ± 0.001°
• γ: 90°
• Cell volume: 2160.7 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0349
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No