Information card for entry 7040940

Structure parameters

• Chemical name: [Ru(PDP)Cl(cod)]
• Formula: C22 H22 Cl N3 Ru
• Calculated formula: C22 H22 Cl N3 Ru
• SMILES: [Ru]12345(Cl)(n6c(c7[n]2cccc7)ccc6c2[n]1cccc2)[CH]1=[CH]3CC[CH]4=[CH]5CC1
• 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: 13.7766 ± 0.0004 Å
• b: 8.1417 ± 0.0003 Å
• c: 16.7532 ± 0.0006 Å
• α: 90°
• β: 104.071 ± 0.002°
• γ: 90°
• Cell volume: 1822.74 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No