Information card for entry 2206957

Structure parameters

• Chemical name: catena-Poly[[bis(1H-benzimidazole-κN^3^)cobalt(II)]- μ-terephthalato-κ^3^O^1^,O^1'^:O^4^]
• Formula: C22 H16 Co N4 O4
• Calculated formula: C22 H16 Co N4 O4
• SMILES: [Co]1([n]2c[nH]c3ccccc23)([n]2c[nH]c3ccccc23)(OC(=[O]1)c1ccc(cc1)C(=O)[O-])OC(=O)c1ccc(C2=[O][Co]([n]3c[nH]c4ccccc34)([n]3c[nH]c4ccccc34)O2)cc1
• Title of publication: <i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-μ-terephthalato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^]
• Authors of publication: Tian-Tian Pan; Jian-Rong Su; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1928 - m1930
• a: 17.319 ± 0.002 Å
• b: 7.2711 ± 0.0007 Å
• c: 17.8495 ± 0.0018 Å
• α: 90°
• β: 115.002 ± 0.003°
• γ: 90°
• Cell volume: 2037.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes