Information card for entry 2205189

Structure parameters

• Chemical name: catena-Poly[[[bis(1H-imidazole-κN^3^)zinc(II)]-μ-terephthalato-κO:O'] trihydrate]
• Formula: C14 H18 N4 O7 Zn
• Calculated formula: C14 H18 N4 O7 Zn
• SMILES: [Zn]([n]1c[nH]cc1)([n]1c[nH]cc1)OC(=O)c1ccc(cc1)C(=O)O[Zn]([n]1c[nH]cc1)([n]1c[nH]cc1)OC(=O)c1ccc(cc1)C(=O)[O-].O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc(II)]-μ-terephthalato-κ^2^<i>O</i>:<i>O</i>'] trihydrate]
• Authors of publication: Lin, Dong-Dong; Yin, Kai-Liang; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m260 - m262
• a: 8.3046 ± 0.0004 Å
• b: 9.5443 ± 0.0004 Å
• c: 12.0048 ± 0.0008 Å
• α: 81.22 ± 0.003°
• β: 70.03 ± 0.002°
• γ: 83.678 ± 0.002°
• Cell volume: 882.1 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes