Information card for entry 2204179

Structure parameters

• Chemical name: catena-Poly[[bis(1H-benzimidazole-κN^3^)cobalt(II)]-μ-isophthalate-κ^2^O:O']
• Formula: C22 H16 Co N4 O4
• Calculated formula: C22 H16 Co N4 O4
• SMILES: [Co](OC(=O)c1cc(ccc1)C(=O)[O-])([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)OC(=O)c1cc(ccc1)C(=O)O[Co]([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12
• Title of publication: <i>catena</i>-Poly[[bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-μ-isophthalato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Jian-Rong Su; Yu Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1298 - m1300
• a: 11.5641 ± 0.0005 Å
• b: 17.8801 ± 0.0003 Å
• c: 10.1058 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2089.55 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes