Information card for entry 7012198

Structure parameters

• Formula: C39 H29 Cl2 N9 O8 Ru
• Calculated formula: C39 H29 Cl2 N9 O8 Ru
• SMILES: [Ru]123([n]4ccncc4c4[n]1nc(c(c1ccccc1)n4)c1ccccc1)([n]1ccccc1c1cccc[n]21)[n]1ccccc1c1cccc[n]31.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Ruthenium(ii) complexes containing asymmetric ligands: synthesis, characterization, crystal structure and DNA-binding
• Authors of publication: Deng, Hong; Cai, Jiwen; Xu, Hong; Zhang, Hao; Ji, Liang-Nian
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 325
• a: 14.505 ± 0.0017 Å
• b: 11.556 ± 0.0013 Å
• c: 23.864 ± 0.003 Å
• α: 90°
• β: 98.85 ± 0.002°
• γ: 90°
• Cell volume: 3952.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0817
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No