Information card for entry 4107740

Structure parameters

• Formula: C19 H18 N3 O Rh
• Calculated formula: C19 H18 N3 O Rh
• SMILES: [Rh]1234([n]5ccccc5C(=O)N1Cc1ncccc1)[CH]1=[CH]2C2CC1[CH]3=[CH]42
• Title of publication: Deprotonation Induced Ligand-to-Metal Electron Transfer: Synthesis of a Mixed-Valence Rh(-I,I) Dinuclear Compound and Its Reaction with Dioxygen
• Authors of publication: Cristina Tejel; Miguel A. Ciriano; M. Pilar del Río; Fieke van den Bruele; Dennis G. H. Hetterscheid; Nearchos Tsichlis i Spithas; Bas de Bruin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5844 - 5845
• a: 7.365 ± 0.0006 Å
• b: 10.5869 ± 0.0009 Å
• c: 11.1271 ± 0.0009 Å
• α: 107.099 ± 0.001°
• β: 93.07 ± 0.001°
• γ: 109.79 ± 0.001°
• Cell volume: 768.89 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No