Information card for entry 2202952

Structure parameters

• Formula: C10 H16 N4 O8 S2 Zn
• Calculated formula: C10 H14 N4 O8 S2 Zn
• Title of publication: Aqua(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N,N</i>')(oxydiacetato-κ^3^<i>O,O</i>',<i>O</i>'')zinc(II) dihydrate
• Authors of publication: Hong Li; Yue Luo; Duan-Jun Xu; Jing-Yun Wu; Michael Y. Chiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m622 - m624
• a: 16.682 ± 0.004 Å
• b: 10.083 ± 0.003 Å
• c: 11.1718 ± 0.0017 Å
• α: 90°
• β: 108.907 ± 0.002°
• γ: 90°
• Cell volume: 1777.8 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.164
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes