Information card for entry 7012901

Structure parameters

• Formula: C25 H34 F6 N6 O P Rh
• Calculated formula: C25 H34 F6 N6 O P Rh
• SMILES: [Rh]12345([n]6n(C(n7[n]1c(cc7C)C)n1nc(cc1C)C)c(C)cc6C)[C]1(=[C]2([C]3(=O)[C]5(=[C]41C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The substitution chemistry of the tris(3,5-dimethylpyrazolyl)methanerhodium complex [Rh(CO)2{HC(pz?)3}]+
• Authors of publication: Adams, Christopher J.; Connelly, Neil G.; Emslie, David J. H.; Hayward, Owen D.; Manson, Tania; Guy Orpen, A.; Rieger, Philip H.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2835
• a: 8.806 ± 0.004 Å
• b: 13.867 ± 0.005 Å
• c: 22.785 ± 0.006 Å
• α: 90 ± 0.02°
• β: 94.952 ± 0.019°
• γ: 90 ± 0.03°
• Cell volume: 2772 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No