Information card for entry 4107739

Structure parameters

• Formula: C26 H27 N3 Rh2
• Calculated formula: C26 H27 N3 Rh2
• SMILES: [Rh]12345([n]6ccccc6C[N]1([Rh]1678[CH]9=[CH]6C%10[CH]7=[CH]8C9C%10)C2c2[n]1cccc2)[CH]1=[CH]3C2[CH]4=[CH]5C1C2
• 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: 9.433 ± 0.002 Å
• b: 21.488 ± 0.006 Å
• c: 10.523 ± 0.002 Å
• α: 90°
• β: 92.052 ± 0.013°
• γ: 90°
• Cell volume: 2131.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No