Information card for entry 4300109

Structure parameters

• Formula: C12 H11 Cl3 N3 Ru
• Calculated formula: C12 H11 Cl3 N3 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)([n]2ccccc2c2cccc[n]12)[N]#CC
• Title of publication: Novel Synthetic Routes to Several New, Differentially Substituted Ruthenium Tris(4,4'-disubstituted-2,2-bipyridine) Complexes
• Authors of publication: Dusan Hesek; Yoshihisa Inoue; Simon R. L. Everitt; Hitoshi Ishida; Mieko Kunieda; Michael G. B. Drew
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 308 - 316
• a: 8.093 ± 0.001 Å
• b: 12.975 ± 0.001 Å
• c: 6.914 ± 0.001 Å
• α: 87.64 ± 0.01°
• β: 88.38 ± 0.01°
• γ: 86.39 ± 0.01°
• Cell volume: 723.72 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.2 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: 0.0447
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No