Information card for entry 2210186

Structure parameters

• Chemical name: catena-Poly[[diaqua[(Z)-3-(1H-benzimidazol-2-yl)prop-2-enoato- κ^2^N,O]cobalt(II)]-μ-(Z)-3-(1H-benzimidazol-2-yl)prop-2-enoato-κ^2^O:O']
• Formula: C20 H18 Co N4 O6
• Calculated formula: C20 H18 Co N4 O6
• SMILES: [Co]1(OC(=O)C=Cc2[n]1c1ccccc1[nH]2)(OC(=O)/C=C\c1[nH]c2ccccc2n1)([OH2])([OH2])[O]=C1O[Co](OC(=O)/C=C\c2[nH]c3ccccc3n2)([OH2])([OH2])[n]2c([nH]c3c2cccc3)C=C1
• Title of publication: <i>catena</i>-Poly[[diaqua[(<i>Z</i>)-3-(1<i>H</i>-benzimidazol-2-yl)prop-2-enoato-κ^2^<i>N</i>,<i>O</i>]cobalt(II)]-μ-(<i>Z</i>)-3-(1<i>H</i>-benzimidazol-2-yl)prop-2-enoato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Zeng, Ming-Hua; Zhou, Yan-Ling; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2099 - m2100
• a: 8.9808 ± 0.0005 Å
• b: 12.1341 ± 0.0007 Å
• c: 17.873 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1947.69 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes