Information card for entry 2216445

Structure parameters

• Chemical name: sulfatotris(thiourea)zinc(II)
• Formula: C3 H12 N6 O4 S4 Zn
• Calculated formula: C3 H12 N6 O4 S4 Zn
• SMILES: [Zn](OS(=O)(=O)[O-])([S]=C(N)N)([S]=C(N)N)[S]=C(N)N
• Title of publication: Redetermination of sulfatotris(thiourea)zinc(II)
• Authors of publication: Krupková, Radmila; Fábry, Jan; Císařová, Ivana; Vaněk, Přemysl
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3177 - m3178
• a: 11.1738 ± 0.0002 Å
• b: 7.8011 ± 0.0001 Å
• c: 15.5424 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1354.8 ± 0.03 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes