Information card for entry 2022084

Structure parameters

• Chemical name: Poly[[μ~2~-1,4-bis(2-methyl-1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^][μ~2~-5-(hydroxymethyl)isophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^]cobalt(II)]
• Formula: C23 H20 Co N4 O5
• Calculated formula: C23 H20 Co N4 O5
• Title of publication: 3D semiconducting Co‒MOFs based on 5-(hydroxymethyl)isophthalic acid and imidazole derivatives: syntheses and crystal structures
• Authors of publication: Xu, Zhong-Xuan; Ou, Chun-Yan; Zhang, Chun-Xue
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• a: 17.1976 ± 0.001 Å
• b: 16.7629 ± 0.0009 Å
• c: 16.3162 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4703.7 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes