Information card for entry 2021688

Structure parameters

• Chemical name: Poly[(μ~5~-benzene-1,3,5-tricarboxylato-κ^6^O^1^:O^1^':O^3^:O^3^:O^5^,O^5^'){μ~3~-1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''}di-μ~3~-hydroxido-dicobalt(II)]
• Formula: C21 H16 Co2 N6 O7
• Calculated formula: C21 H16 Co2 N6 O7
• Title of publication: Construction of (3,8)-connected three-dimensional cobalt(II) and copper(II) coordination polymers with 1,3-bis[(1,2,4-triazol-4-yl)methyl]benzene and benzene-1,3,5-tricarboxylate ligands
• Authors of publication: Zhang, Ya-Qian; Blatov, Vladislav A.; Lv, Xiu-Xiu; Tang, Ding-Yi; Qian, Lin-Lu; Li, Ke; Li, Bao-Long
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• a: 11.06 ± 0.0006 Å
• b: 17.1537 ± 0.0009 Å
• c: 11.7342 ± 0.0005 Å
• α: 90°
• β: 95.499 ± 0.004°
• γ: 90°
• Cell volume: 2215.97 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 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: 0.0714
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No