Information card for entry 2222738

Structure parameters

• Chemical name: Hexaaquacobalt(II) 5,5'-(propane-1,3-diyldithio)bis(1<i>H</i>-tetrazole-1-acetate)
• Formula: C9 H22 Co N8 O10 S2
• Calculated formula: C9 H22 Co N8 O10 S2
• SMILES: c1(n(CC(=O)[O-])nnn1)SCCCSc1n(CC(=O)[O-])nnn1.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Hexaaquacobalt(II) 5,5'-(propane-1,3-diyldithio)bis(1<i>H</i>-tetrazole-1-acetate)
• Authors of publication: Liang, Wan-Ling; Yu, Qing; Zhang, Xiu-Qing; Qin, Jiang-Ke; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m1006
• a: 19.42 ± 0.002 Å
• b: 7.9069 ± 0.0011 Å
• c: 13.7356 ± 0.0017 Å
• α: 90°
• β: 112.957 ± 0.002°
• γ: 90°
• Cell volume: 1942.1 ± 0.4 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: 0.03
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes