Information card for entry 2211377

Structure parameters

• Chemical name: Diaquabis(4-formylbenzoato-κO)zinc(II) monohydrate
• Formula: C16 H16 O9 Zn
• Calculated formula: C16 H16 O9 Zn
• SMILES: c1cc(C(=O)O[Zn]([OH2])(OC(=O)c2ccc(C=O)cc2)[OH2])ccc1C=O.O
• Title of publication: Diaquabis(4-formylbenzoato-κ<i>O</i>)zinc(II) monohydrate
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3524 - m3526
• a: 7.939 ± 0.0016 Å
• b: 5.7474 ± 0.0011 Å
• c: 18.736 ± 0.004 Å
• α: 90°
• β: 94.69 ± 0.03°
• γ: 90°
• Cell volume: 852 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes