Information card for entry 2015913

Structure parameters

• Chemical name: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')(oxydiacetato- κ^3^O,O',O'')cobalt(II) trihydrate
• Formula: C10 H18 Co N4 O9 S2
• Calculated formula: C10 H18 Co N4 O9 S2
• SMILES: [Co]123([n]4c(scc4c4csc([n]14)N)N)(OC(=O)C[O]2CC(=O)O3)[OH2].O.O.O
• Title of publication: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II) trihydrate
• Authors of publication: Zhi-Yong Wu; Wei Sun; Yan-Tuan Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m177 - m180
• a: 7.2265 ± 0.0014 Å
• b: 9.698 ± 0.0019 Å
• c: 12.319 ± 0.003 Å
• α: 96.69 ± 0.03°
• β: 93.34 ± 0.03°
• γ: 90.29 ± 0.03°
• Cell volume: 856 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes