Information card for entry 2231715

Structure parameters

• Chemical name: Dichloridobis[2-methylsulfanyl-4-(pyridin-2-yl)pyrimidine- κ^2^<i>N</i>^3^,<i>N</i>^4^)cobalt(II)
• Formula: C20 H18 Cl2 Co N6 S2
• Calculated formula: C20 H18 Cl2 Co N6 S2
• SMILES: c1cccc2c3ccnc([n]3[Co]3([n]12)(Cl)([n]1ccccc1c1ccnc([n]31)SC)Cl)SC
• Title of publication: Dichloridobis[2-methylsulfanyl-4-(pyridin-2-yl)pyrimidine-κ^2^<i>N</i>^3^,<i>N</i>^4^]cobalt(II)
• Authors of publication: Yang, Wen-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1193
• a: 8.709 ± 0.011 Å
• b: 17.1 ± 0.02 Å
• c: 15.328 ± 0.019 Å
• α: 90°
• β: 102.34 ± 0.03°
• γ: 90°
• Cell volume: 2230 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No