Information card for entry 4319060

Structure parameters

• Formula: C34 H27 Cl N8 Ru
• Calculated formula: C34 H27 Cl N8 Ru
• SMILES: [Ru]123(Cl)([n]4ccccc4N=[N]1c1ccccc1N2c1ccccc1)[n]1ccccc1N=[N]3c1ccccc1Nc1ccccc1
• Title of publication: Metal-Promoted Aromatic Ring Amination and Deamination Reactions at a Diazo Ligand Coordinated to Rhodium and Ruthenium
• Authors of publication: Chayan Das; Amit K. Ghosh; Chen-Hsiung Hung; Gene-Hsiang Lee; Shie-Ming Peng; Sreebrata Goswami
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 7125 - 7135
• a: 10.998 ± 0.002 Å
• b: 20.067 ± 0.004 Å
• c: 14.53 ± 0.003 Å
• α: 90°
• β: 110.26 ± 0.02°
• γ: 90°
• Cell volume: 3008.3 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for all reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.0645
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No