Information card for entry 2223387

Structure parameters

• Chemical name: Diaquabis[3-(2-sulfanylphenyl)prop-2-enoato]zinc(II) dihydrate
• Formula: C18 H22 O8 S2 Zn
• Calculated formula: C18 H22 O8 S2 Zn
• SMILES: c1(c(S)cccc1)/C=C/C(=O)O[Zn]([OH2])(OC(=O)/C=C/c1c(cccc1)S)[OH2].O.O
• Title of publication: Diaquabis[3-(2-sulfanylphenyl)prop-2-enoato]zinc(II) dihydrate
• Authors of publication: Wang, Qiang; Hou, Jian; Wang, Li-Jun; Zeng, Qing-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1183
• a: 18.4398 ± 0.0005 Å
• b: 7.7188 ± 0.0003 Å
• c: 7.3258 ± 0.0002 Å
• α: 90°
• β: 98.578 ± 0.002°
• γ: 90°
• Cell volume: 1031.04 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes