Information card for entry 2206602

Structure parameters

• Chemical name: Tetraaquadithiocyanatocobalt(II) bis(2-methylpyrazine 1,4-dioxide)
• Formula: C12 H20 Co N6 O8 S2
• Calculated formula: C12 H20 Co N6 O8 S2
• SMILES: c1c(C)n(ccn1=O)=O.[OH2][Co](N=C=S)(N=C=S)([OH2])([OH2])[OH2].c1c(C)n(ccn1=O)=O
• Title of publication: Tetraaquadithiocyanatocobalt(II) bis(2-methylpyrazine 1,4-dioxide)
• Authors of publication: Sun, You-Min; Shi, Jing-Min; Zhang, Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1501 - m1502
• a: 16.982 ± 0.004 Å
• b: 6.7616 ± 0.0014 Å
• c: 10.12 ± 0.002 Å
• α: 90°
• β: 111.718 ± 0.004°
• γ: 90°
• Cell volume: 1079.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes