Information card for entry 7012902

Structure parameters

• Formula: C27 H40 F6 N6 O2 P Rh
• Calculated formula: C27 H38 F6 N6 O2 P Rh
• SMILES: [Rh]12345([n]6n(C(n7[n]1c(cc7C)C)n1nc(cc1C)C)c(C)cc6C)[C]1(=O)[C]4(=[C]5([C]2(=[C]31CC)C)C)CC.O.[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: 8.96 ± 0.002 Å
• b: 12.11 ± 0.003 Å
• c: 14.639 ± 0.004 Å
• α: 90 ± 0.03°
• β: 101.89 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 1554.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No