Information card for entry 4334710

Structure parameters

• Formula: C27 H40 Cl O P2 Rh
• Calculated formula: C27 H40 Cl O P2 Rh
• SMILES: [Rh]12([P](C(C)C)(C(C)C)c3cccc4c3[O]2c2c(C4(C)C)cccc2[P]1(C(C)C)C(C)C)Cl
• Title of publication: Xantphos-Type Complexes of Group 9: Rhodium versus Iridium
• Authors of publication: Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5339 - 5349
• a: 10.5402 ± 0.0017 Å
• b: 16.299 ± 0.003 Å
• c: 16.6 ± 0.003 Å
• α: 90°
• β: 105.855 ± 0.002°
• γ: 90°
• Cell volume: 2743.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1486
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No