Information card for entry 2230211

Structure parameters

• Chemical name: <i>trans</i>-Bis(2-acetamido-5-methylbenzoato-κ<i>O</i>^1^)tetraaquazinc
• Formula: C20 H28 N2 O10 Zn
• Calculated formula: C20 H28 N2 O10 Zn
• SMILES: C(=O)(Nc1c(cc(cc1)C)C(=O)O[Zn]([OH2])(OC(=O)c1cc(ccc1NC(=O)C)C)([OH2])([OH2])[OH2])C
• Title of publication: <i>trans</i>-Bis(2-acetamido-5-methylbenzoato-κ<i>O</i>^1^)tetraaquazinc
• Authors of publication: Huang, Jin-Feng; Zheng, Jian-You; Dai, Yu-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m542
• a: 19.3 ± 0.004 Å
• b: 9.3 ± 0.0019 Å
• c: 13.3 ± 0.003 Å
• α: 90°
• β: 107.6 ± 0.03°
• γ: 90°
• Cell volume: 2275.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes