Information card for entry 2204457

Structure parameters

• Chemical name: Diaquabis(3-hydroxynaphthalene-2-carboxylato-κO)zinc(II)
• Formula: C22 H18 O8 Zn
• Calculated formula: C22 H18 O8 Zn
• SMILES: [Zn](OC(=O)c1cc2ccccc2cc1O)(OC(=O)c1cc2ccccc2cc1O)([OH2])[OH2]
• Title of publication: Diaquabis(3-hydroxynaphthalene-2-carboxylato-κ<i>O</i>)zinc(II)
• Authors of publication: Deng, Bing; Liu, Zhao-Di; Liu, Xiu-Ying; Tan, Min-Yu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1568 - m1569
• a: 15.597 ± 0.009 Å
• b: 5.509 ± 0.004 Å
• c: 12.648 ± 0.007 Å
• α: 90°
• β: 95.06 ± 0.02°
• γ: 90°
• Cell volume: 1082.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes