Information card for entry 2015815

Structure parameters

• Chemical name: (Acetonitrile){2,6-bis[1-(2-ethyl-6- methylphenylimino)ethyl]pyridine}dichlororuthenium(II) dichloromethane hemisolvate
• Formula: C29.5 H35 Cl3 N4 Ru
• Calculated formula: C29.5 H35 Cl3 N4 Ru
• SMILES: ClCCl.c12cccc3C(C)=[N](c4c(cccc4C)CC)[Ru]([n]23)([N](=C1C)c1c(cccc1C)CC)([N]#CC)(Cl)Cl
• Title of publication: (Acetonitrile){2,6-bis[1-(2-ethyl-6-methylphenylimino)ethyl]pyridine}dichlororuthenium(II) dichloromethane hemisolvate: a chain of edge-fused <i>R</i>~6~^6^(24) rings
• Authors of publication: Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m77 - m80
• a: 31.385 ± 0.002 Å
• b: 12.4151 ± 0.0007 Å
• c: 16.5874 ± 0.0011 Å
• α: 90°
• β: 100.246 ± 0.006°
• γ: 90°
• Cell volume: 6360.2 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes