Information card for entry 2222209

Structure parameters

• Chemical name: {Bis[4-(2-pyridyl)pyrimidin-2-yl]sulfane}dichloridocobalt(II)
• Formula: C18 H12 Cl2 Co N6 S
• Calculated formula: C18 H12 Cl2 Co N6 S
• SMILES: c12nccc3c4cccc[n]4[Co]4([n]13)(Cl)([n]1c(S2)nccc1c1cccc[n]41)Cl
• Title of publication: {Bis[4-(2-pyridyl)pyrimidin-2-yl]sulfane}dichloridocobalt(II)
• Authors of publication: Zhu, Hai-Bin; Li, Lei; Ji, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m784
• a: 14.685 ± 0.003 Å
• b: 10.325 ± 0.002 Å
• c: 13.376 ± 0.003 Å
• α: 90°
• β: 112.339 ± 0.003°
• γ: 90°
• Cell volume: 1875.9 ± 0.7 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: 0.0671
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes