Information card for entry 2229764

Structure parameters

• Chemical name: Triaquabis[4-(methoxycarbonyl)benzoato-κ<i>O</i>^1^]zinc(II) dihydrate
• Formula: C18 H24 O13 Zn
• Calculated formula: C18 H24 O13 Zn
• SMILES: c1(ccc(cc1)C(=O)OC)C(=O)O[Zn]([OH2])([OH2])(OC(=O)c1ccc(cc1)C(=O)OC)[OH2].O.O
• Title of publication: Triaquabis[4-(methoxycarbonyl)benzoato-κ<i>O</i>^1^]zinc dihydrate
• Authors of publication: Şerb, Mihaela-Diana; Wang, Yutian; Dumitru, Florina; Englert, Ulli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m475 - m476
• a: 13.7157 ± 0.0015 Å
• b: 5.9719 ± 0.0007 Å
• c: 25.874 ± 0.003 Å
• α: 90°
• β: 91.551 ± 0.002°
• γ: 90°
• Cell volume: 2118.5 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes