Information card for entry 2208401

Structure parameters

• Chemical name: Bis(2,2'-bipyridine)[2-(2-pyridyl)-1H-benzimidazol-1-yl]ruthenium(II) perchlorate acetonitrile solvate monohydrate
• Formula: C34 H29 Cl N8 O5 Ru
• Calculated formula: C34 H29 Cl N8 O5 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1n3c2c(n1)cccc2.N#CC.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Bis(2,2'-bipyridine)[2-(2-pyridyl)-1<i>H</i>-benzimidazol-1-yl]ruthenium(II) perchlorate acetonitrile solvate monohydrate
• Authors of publication: Yun-Jun Liu; Hui Chao; Hui-Juan Yu; Yi-Xian Yuan; Liang-Nian Ji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m585 - m587
• a: 9.5382 ± 0.0016 Å
• b: 13.749 ± 0.002 Å
• c: 25.434 ± 0.004 Å
• α: 90°
• β: 93.214 ± 0.003°
• γ: 90°
• Cell volume: 3330.2 ± 0.9 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: 0.0403
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes