Information card for entry 2223104

Structure parameters

• Chemical name: Tetraaquabis(2-methylbenzimidazolium-1,3-diacetato-κ<i>O</i>)zinc(II) tetrahydrate
• Formula: C24 H38 N4 O16 Zn
• Calculated formula: C24 H38 N4 O16 Zn
• SMILES: c1(C)n(CC(=O)[O-])c2ccccc2[n+]1CC(=O)O[Zn](OC(=O)C[n+]1c2c(cccc2)n(c1C)CC(=O)[O-])([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Tetraaquabis(2-methylbenzimidazolium-1,3-diacetato-κ<i>O</i>)zinc(II) tetrahydrate
• Authors of publication: Lian, Heng-Chi; Ni, Qing-Ling; Jiang, Xuan-Feng; Cen, Zhong-Min; Lin, Jia-Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1091
• a: 7.2749 ± 0.0009 Å
• b: 21.265 ± 0.003 Å
• c: 9.7794 ± 0.0012 Å
• α: 90°
• β: 104.467 ± 0.002°
• γ: 90°
• Cell volume: 1464.9 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes