Information card for entry 2021941

Structure parameters

• Chemical name: Poly[[diaqua{μ~4~-1,1,2,2-tetrakis[4-(1<i>H</i>-1,2,4-triazol-1-yl)phenyl]ethylene-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}cobalt(II)] benzene-1,4-dicarboxylic acid benzene-1,4-dicarboxylate]
• Formula: C50 H38 Co N12 O10
• Calculated formula: C50 H38 Co N12 O10
• Title of publication: A Co-MOF with a (4,4)-connected binodal two-dimensional topology: synthesis, structure and photocatalytic properties
• Authors of publication: Wang, Zhi-Xiang; Tian, Hai-Xin; Ding, Jian-Gang; Li, Bao-Long; Wu, Bing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 23 - 29
• a: 7.4985 ± 0.0005 Å
• b: 11.3099 ± 0.0007 Å
• c: 14.7152 ± 0.0007 Å
• α: 101.142 ± 0.005°
• β: 95.336 ± 0.005°
• γ: 99.286 ± 0.006°
• Cell volume: 1198.41 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes