Information card for entry 8106519

Structure parameters

• Formula: C22 H22 B Cl3 F4 N2 Ru
• Calculated formula: C22 H22 B Cl3 F4 N2 Ru
• SMILES: c1cccc2C=[N](c3c(ccc(c3)Cl)Cl)[Ru]34567([c]8([cH]7[cH]6[c]5([cH]4[cH]38)C(C)C)C)([n]12)Cl.[B](F)(F)(F)[F-]
• Title of publication: Crystal structure of chlorido-(N-(2,5-dichlorophenyl)-1-(pyridin-2-yl)methanimine-κ2 N,N′)(η 6-1-isopropyl-4-methyl benzene) ruthenium (II) tetrafluoroborate, C22H22Cl3N2BF4Ru
• 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: 309 - 311
• a: 15.067 ± 0.005 Å
• b: 10.409 ± 0.005 Å
• c: 16.503 ± 0.005 Å
• α: 90 ± 0.005°
• β: 112.74°
• γ: 90°
• Cell volume: 2387 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No