Information card for entry 2217219

Structure parameters

• Chemical name: Tetraaquabis(1-hydroxy-2-naphthoato-κO)zinc(II)
• Formula: C22 H22 O10 Zn
• Calculated formula: C22 H22 O10 Zn
• SMILES: C(=O)(c1c(c2c(cc1)cccc2)O)O[Zn]([OH2])(OC(=O)c1c(c2c(cc1)cccc2)O)([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis(1-hydroxy-2-naphthoato-κ<i>O</i>)zinc(II)
• Authors of publication: Wen-Dong Song; Jian-Bin Yan; Hao Wang; Li-Li Ji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m5 - m5
• a: 6.7499 ± 0.0002 Å
• b: 5.2239 ± 0.0001 Å
• c: 29.9876 ± 0.0008 Å
• α: 90°
• β: 94.733 ± 0.002°
• γ: 90°
• Cell volume: 1053.78 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes