Information card for entry 4320925

Structure parameters

• Formula: C44 H33 Cl5 N O2 P2 Rh
• Calculated formula: C44 H33 Cl5 N O2 P2 Rh
• SMILES: [Rh]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2O1)[N]#CC
• Title of publication: Ligand Control on Molecular Oxygen Activation by Rhodium Quinone Complexes
• Authors of publication: Swati Dutta; Shie-Ming Peng; Samaresh Bhattacharya
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2231 - 2234
• a: 16.2358 ± 0.0007 Å
• b: 18.3175 ± 0.0007 Å
• c: 27.068 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8050 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1562
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections: 0.1341
• Weighted residual factors for significantly intense reflections: 0.1246
• Goodness-of-fit parameter for all reflections: 1.379
• Goodness-of-fit parameter for significantly intense reflections: 1.457
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No