Information card for entry 2243854

Structure parameters

• Chemical name: Poly[(3-amino-1,2,4-triazole)(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)cobalt(II)]
• Formula: C11 H8 Co N6 O4
• Calculated formula: C11 H8 Co N6 O4
• Title of publication: Synthesis and crystal structure of poly[(3-amino-1,2,4-triazole)(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)cobalt(II)]
• Authors of publication: Zhao, Chen; Li, Yi; Xiao, Jin-Sheng; Zhang, Peng-Dan; Wu, Xue-Qian; Chen, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 7
• Pages of publication: 714 - 717
• a: 13.3368 ± 0.0008 Å
• b: 6.8727 ± 0.0004 Å
• c: 13.6015 ± 0.001 Å
• α: 90°
• β: 103.478 ± 0.007°
• γ: 90°
• Cell volume: 1212.38 ± 0.14 ų
• Cell temperature: 279 ± 2 K
• Ambient diffraction temperature: 279 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes