Information card for entry 2219642

Structure parameters

• Chemical name: [1,3-Bis(diphenylphosphino)propane- κ^2^P,P']diiodido(perfluoropropyl)rhodium(III) dichloromethane solvate
• Formula: C31 H28 Cl2 F7 I2 P2 Rh
• Calculated formula: C31 H28 Cl2 F7 I2 P2 Rh
• SMILES: I[Rh]1(I)([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.ClCCl
• Title of publication: [1,3-Bis(diphenylphosphino)propane-κ^2^<i>P</i>,<i>P</i>']diiodido(perfluoropropyl)rhodium(III) dichloromethane solvate
• Authors of publication: Panthi, Basu; Gipson, Stephen L.; Franken, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1330
• a: 14.0419 ± 0.0006 Å
• b: 15.1273 ± 0.0006 Å
• c: 17.7722 ± 0.0007 Å
• α: 90°
• β: 110.299 ± 0.002°
• γ: 90°
• Cell volume: 3540.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes