Information card for entry 8106517

Structure parameters

• Formula: C20 H22 Cl2 N2 O5 Ru
• Calculated formula: C20 H22 Cl2 N2 O5 Ru
• SMILES: [Ru]123456(Cl)([n]7ccccc7C=[N]1c1c(C)cccc1C)[cH]1[cH]4[cH]6[cH]2[cH]3[cH]51.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Crystal structure of (η 6-benzene)-(N-(2,6-dimethylphenyl)-1-(pyridin-2-yl)methanimine-κ2 N,N′)ruthenium(II) perchlorate monohydrate, C20H20Cl2N2O5Ru
• Authors of publication: Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 301 - 303
• a: 8.7921 ± 0.0002 Å
• b: 11.2515 ± 0.0003 Å
• c: 11.7014 ± 0.0003 Å
• α: 103.752 ± 0.001°
• β: 107.296 ± 0.001°
• γ: 98.562 ± 0.001°
• Cell volume: 1043.01 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No