Information card for entry 4312860

Structure parameters

• Formula: C61 H56 Cl2 N12 O11 Ru
• Calculated formula: C61 H56 Cl2 N12 O11 Ru
• SMILES: [Ru]123([n]4ccccc4N=[N]1c1ccc(Nc4ccc(OC)cc4)cc1)([n]1ccccc1N=[N]2c1ccc(Nc2ccc(OC)cc2)cc1)[n]1ccccc1N=[N]3c1ccc(Nc2ccc(OC)cc2)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].c1cc(ccc1)C
• Title of publication: Ruthenium Complexes of 2-[(4-(Arylamino)phenyl)azo]pyridine Formed via Regioselective Phenyl Ring Amination of Coordinated 2-(Phenylazo)pyridine: Isolation of Products, X-ray Structure, and Redox and Optical Properties
• Authors of publication: Chayan Das; Amrita Saha; Chen-Hsiung Hung; Gene-Hsiang Lee; Shie-Ming Peng; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 198 - 204
• a: 12.539 ± 0.0007 Å
• b: 14.5309 ± 0.0008 Å
• c: 18.5892 ± 0.0011 Å
• α: 75.762 ± 0.001°
• β: 80.207 ± 0.001°
• γ: 71.467 ± 0.001°
• Cell volume: 3097.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1014
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No