Information card for entry 7012903

Structure parameters

• Formula: C35 H38 Cl4 F6 N6 O P Rh
• Calculated formula: C35 H38 Cl4 F6 N6 O P Rh
• SMILES: [Rh]123([n]4n(c(cc4C)C)C(n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)(C#[O])C(=CC(=C3)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• 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: 18.5922 ± 0.0005 Å
• b: 12.7967 ± 0.0003 Å
• c: 16.7223 ± 0.0003 Å
• α: 90°
• β: 91.778 ± 0.001°
• γ: 90°
• Cell volume: 3976.63 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No