Information card for entry 4066911

Structure parameters

• Formula: C31 H32 Cl6 F3 I2 P2 Rh
• Calculated formula: C31 H32 Cl6 F3 I2 P2 Rh
• SMILES: C(F)(F)([Rh]1(I)([P](c2ccccc2)(CCC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)I)F.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 8.7676 ± 0.0005 Å
• b: 22.1871 ± 0.0013 Å
• c: 10.3947 ± 0.0006 Å
• α: 90°
• β: 110.587 ± 0.002°
• γ: 90°
• Cell volume: 1892.93 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No