Information card for entry 2013439

Structure parameters

• Formula: C10 H12 Cu N4 O6 S2
• Calculated formula: C10 H12 Cu N4 O6 S2
• SMILES: [Cu]123(OC(=O)C[O]1CC(=O)O2)[N]1=C(SC=C1C1[N]3=C(SC=1)N)N.O
• Title of publication: (2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)(oxydiacetato-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')copper(II) monohydrate
• Authors of publication: Zhi-Yong Wu; Duan-Jun Xu; Yue Luo; Jing-Yun Wu; Michael Y. Chiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m307 - m309
• a: 9.688 ± 0.004 Å
• b: 9.72 ± 0.004 Å
• c: 9.831 ± 0.004 Å
• α: 68.64 ± 0.03°
• β: 62.33 ± 0.03°
• γ: 71.74 ± 0.03°
• Cell volume: 751.8 ± 0.6 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: 0.059
• 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: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes