Information card for entry 8102442

Structure parameters

• Formula: C10 H12 N4 O5 S2 Zn
• Calculated formula: C10 H12 N4 O5 S2 Zn
• Title of publication: Crystal structure of monoaqua-bis(2-aminothiazol-4-acetato)zinc(II), Zn(H2O)(C5H5N2O2S)2
• Authors of publication: Lei Yang; Qiufen Wang; Suping Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 453
• a: 12.481 ± 0.004 Å
• b: 9.522 ± 0.003 Å
• c: 12.686 ± 0.005 Å
• α: 90°
• β: 95.8 ± 0.005°
• γ: 90°
• Cell volume: 1499.9 ± 0.9 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: 0.0618
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No