Information card for entry 2218607

Structure parameters

• Chemical name: {Bis[4-(2-pyridyl)pyrimidin-2-yl] sulfide}dibromidocobalt(II)
• Formula: C18 H12 Br2 Co N6 S
• Calculated formula: C18 H12 Br2 Co N6 S
• SMILES: c1cccc2c3ccnc4[n]3[Co]3([n]12)(Br)([n]1ccccc1c1ccnc([n]31)S4)Br
• Title of publication: {Bis[4-(2-pyridyl)pyrimidin-2-yl] sulfide}dibromidocobalt(II)
• Authors of publication: Li, Cai-Yun; Tong, Xiao-Lan; Hu, Tong-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m856
• a: 15.191 ± 0.005 Å
• b: 10.35 ± 0.004 Å
• c: 13.338 ± 0.005 Å
• α: 90°
• β: 112.312 ± 0.005°
• γ: 90°
• Cell volume: 1940.1 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes