Information card for entry 2224410

Structure parameters

• Chemical name: Bis(2-aminothiazole-4-acetato)aquazinc(II)
• Formula: C10 H12 N4 O5 S2 Zn
• Calculated formula: C10 H12 N4 O5 S2 Zn
• SMILES: c1([n]2c(cs1)CC(=O)O[Zn]12([OH2])[n]2c(N)scc2CC(=O)O1)N
• Title of publication: Bis(2-aminothiazole-4-acetato)aquazinc(II)
• Authors of publication: Zhang, Lai-Jun; Shen, Xing-Can; Yang, Yan; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1517
• a: 11.715 ± 0.002 Å
• b: 9.822 ± 0.002 Å
• c: 12.58 ± 0.003 Å
• α: 90°
• β: 91.24 ± 0.03°
• γ: 90°
• Cell volume: 1447.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes