Information card for entry 4309888

Structure parameters

• Formula: C34 H34 Cl N2 O2 Rh
• Calculated formula: C34 H34 Cl N2 O2 Rh
• SMILES: [Rh]12345(Cl)([O]=C(c6c(nn(c7ccccc7)c6O1)C)C(c1ccccc1)c1ccccc1)[c]1(C)[c]2([c]3(C)[c]4(C)[c]51C)C
• Title of publication: Syntheses, Structures, and Reactivity of New Pentamethylcyclopentadienyl-Rhodium(III) and -iridium(III) 4-Acyl-5-Pyrazolonate Complexes
• Authors of publication: Claudio Pettinari; Riccardo Pettinari; Mauro Fianchini; Fabio Marchetti; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7933 - 7942
• a: 8.2875 ± 0.0006 Å
• b: 13.778 ± 0.001 Å
• c: 14.61 ± 0.001 Å
• α: 109.429 ± 0.002°
• β: 95.937 ± 0.002°
• γ: 106.875 ± 0.002°
• Cell volume: 1468.07 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No