Information card for entry 7040943

Structure parameters

• Chemical name: [RuCOD(PDPCl)]
• Formula: C22 H20 Cl3 N3 Ru
• Calculated formula: C22 H20 Cl3 N3 Ru
• SMILES: [Ru]12345(Cl)(n6c(c(c(c6c6[n]2cccc6)Cl)Cl)c2[n]1cccc2)[CH]1=[CH]5CC[CH]4=[CH]3CC1
• Title of publication: Synthesis, structural characterization and catalysis of ruthenium(ii) complexes based on 2,5-bis(2'-pyridyl)pyrrole ligand.
• Authors of publication: Zhong, Yi-Qing; Xiao, Hui-Qiong; Yi, Xiao-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18113 - 18119
• a: 16.7129 ± 0.0005 Å
• b: 7.7974 ± 0.0002 Å
• c: 31.1102 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4054.19 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No