Information card for entry 2231769

Structure parameters

• Chemical name: Diaquabis(2-hydroxy-5-methoxybenzoato-κ<i>O</i>^1^)zinc(II)
• Formula: C16 H18 O10 Zn
• Calculated formula: C16 H18 O10 Zn
• SMILES: C(=O)(c1c(ccc(c1)OC)O)O[Zn](OC(=O)c1c(ccc(c1)OC)O)([OH2])[OH2]
• Title of publication: Diaquabis(2-hydroxy-5-methoxybenzoato-κ<i>O</i>^1^)zinc
• Authors of publication: Li, Tao; Tang, Li-Rong; Yang, Lin; Huang, Biao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1262
• a: 25.113 ± 0.004 Å
• b: 5.5065 ± 0.0006 Å
• c: 12.648 ± 0.003 Å
• α: 90°
• β: 97.845 ± 0.012°
• γ: 90°
• Cell volume: 1732.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes