Information card for entry 2211737

Structure parameters

• Chemical name: Hexaaquacobalt(II) bis[(4-nitrophenylsulfanyl)acetate]
• Formula: C16 H24 Co N2 O14 S2
• Calculated formula: C16 H24 Co N2 O14 S2
• SMILES: c1cc(N(=O)=O)ccc1SCC(=O)[O-].[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].c1(ccc(cc1)N(=O)=O)SCC(=O)[O-]
• Title of publication: Hexaaquacobalt(II) bis[(4-nitrophenylsulfanyl)acetate]
• Authors of publication: Shi, Ai-E; Zhang, Shuang; Li, Bai-Yan; Hou, Yan-Jun; Hou, Guang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m265 - m266
• a: 7.164 ± 0.006 Å
• b: 7.639 ± 0.005 Å
• c: 12.011 ± 0.008 Å
• α: 102.07 ± 0.02°
• β: 102.23 ± 0.03°
• γ: 105.32 ± 0.03°
• Cell volume: 594.6 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes