Information card for entry 2222182

Structure parameters

• Chemical name: Aquabis(2-amino-1,3-thiazole-4-acetato-κ^2^<i>O</i>,<i>N</i>^3^)nickel(II)
• Formula: C10 H12 N4 Ni O5 S2
• Calculated formula: C10 H12 N4 Ni O5 S2
• SMILES: c1(N)[n]2[Ni]3([OH2])([n]4c(N)scc4CC(=O)O3)OC(=O)Cc2cs1
• Title of publication: Aquabis(2-amino-1,3-thiazole-4-acetato-κ^2^<i>O</i>,<i>N</i>^3^)nickel(II)
• Authors of publication: He, Qiu-Fen; Li, Dong-Sheng; Zhao, Jun; Ke, Xi-Jun; Li, Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m666
• a: 12.0875 ± 0.0012 Å
• b: 9.1278 ± 0.0009 Å
• c: 12.7715 ± 0.0012 Å
• α: 90°
• β: 95.119 ± 0.001°
• γ: 90°
• Cell volume: 1403.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes