Information card for entry 4066910

Structure parameters

• Formula: C30 H28 Cl2 F3 I2 O P2 Rh
• Calculated formula: C30 H28 Cl2 F3 I2 O P2 Rh
• SMILES: I[Rh]1(I)([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)C(F)(F)F.ClCCl
• Title of publication: Comparison of the Thermal and Reductive Decarbonylation of a Rhodium Trifluoroacetyl Diphosphine Complex
• Authors of publication: Panthi, Basu D.; Gipson, Stephen L.; Franken, Andreas
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5890
• a: 9.5 ± 0.002 Å
• b: 13.385 ± 0.004 Å
• c: 14.187 ± 0.004 Å
• α: 74.522 ± 0.014°
• β: 79.145 ± 0.012°
• γ: 70.165 ± 0.012°
• Cell volume: 1625.9 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0505
• 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