Information card for entry 4309885

Structure parameters

• Formula: C26 H34 Cl N2 O2 Rh
• Calculated formula: C26 H34 Cl N2 O2 Rh
• SMILES: [Rh]12345(Cl)([O]=C(c6c(nn(c7ccccc7)c6O1)C)CC(C)(C)C)[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: 16.059 ± 0.005 Å
• b: 19.606 ± 0.007 Å
• c: 8.081 ± 0.003 Å
• α: 90°
• β: 92.177 ± 0.007°
• γ: 90°
• Cell volume: 2542.5 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.228
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for all reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections: 1.328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No