Information card for entry 8106171

Structure parameters

• Formula: C22 H22 Cl4 N2 O4 Ru
• Calculated formula: C22 H22 Cl4 N2 O4 Ru
• SMILES: c1cccc2C=[N](c3c(ccc(c3)Cl)Cl)[Ru]34567([c]8([cH]3[cH]4[c]5([cH]6[cH]78)C(C)C)C)([n]12)Cl.[O-]Cl(=O)(=O)=O
• Title of publication: Crystal structure of (η 6-1-isopropyl-4-methyl benzene)-(N-(2,5-dichlorophenyl)-1-(pyridin-2-yl)methanimine-κ2 N,N′)ruthenium(II) perchlorate, C22H22Cl4N2O4Ru
• Authors of publication: Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 423 - 425
• a: 15.0181 ± 0.0003 Å
• b: 10.3983 ± 0.0002 Å
• c: 16.6496 ± 0.0003 Å
• α: 90°
• β: 112.459 ± 0.001°
• γ: 90°
• Cell volume: 2402.84 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No