Information card for entry 2204444

Structure parameters

• Chemical name: trans-Dichlorobis[pyrimidine-2(1H)-thione-κN^1^]cobalt(II)
• Formula: C8 H8 Cl2 Co N4 S2
• Calculated formula: C8 H8 Cl2 Co N4 S2
• SMILES: c1(=S)[n](ccc[nH]1)[Co]([n]1c(=S)[nH]ccc1)(Cl)Cl
• Title of publication: <i>trans</i>-Dichlorobis[pyrimidine-2(1<i>H</i>)-thione-κ<i>N</i>]cobalt(II)
• Authors of publication: Shi, Wen-Juan; Li, Dan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1664 - m1665
• a: 12.369 ± 0.0008 Å
• b: 8.305 ± 0.0006 Å
• c: 13.9204 ± 0.0009 Å
• α: 90°
• β: 115.013 ± 0.001°
• γ: 90°
• Cell volume: 1295.85 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes