Information card for entry 2205320

Structure parameters

• Chemical name: catena-Poly[[bis(1H-benzimidazole-κN^3^)zinc(II)]-μ-3-carboxyphenoxyacetato- κ^2^O:O']
• Formula: C23 H18 N4 O5 Zn
• Calculated formula: C23 H18 N4 O5 Zn
• SMILES: [Zn](OC(=O)COc1cccc(c1)C(=O)[O-])([n]1c[nH]c2c1cccc2)([n]1c[nH]c2c1cccc2)OC(=O)c1cccc(OCC(=O)O[Zn]([n]2c[nH]c3c2cccc3)[n]2c[nH]c3c2cccc3)c1
• Title of publication: <i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)zinc(II)]-μ-3-carboxyphenoxyacetato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Gu, Chang-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m494 - m495
• a: 10.58 ± 0.003 Å
• b: 11.356 ± 0.003 Å
• c: 11.492 ± 0.003 Å
• α: 116.06 ± 0.02°
• β: 100.32 ± 0.02°
• γ: 104.936 ± 0.014°
• Cell volume: 1128.4 ± 0.6 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: 0.1082
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes