Information card for entry 2021726

Structure parameters

• Chemical name: Poly[[aqua(μ~4~-biphenyl-2,2',5,5'-tetracarboxylato){1,4-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}dicobalt(II)] dihydrate]
• Formula: C44 H46 Co2 N2 O14
• Calculated formula: C44 H42 Co2 N8 O12
• Title of publication: Two Co^II^ coordination polymers of biphenyl-2,2',5,5'-tetracarboxylic acid with flexible N-donor ligands: syntheses, structures and magnetic properties
• Authors of publication: Su, Feng; Zhou, Cheng-Yong; Wu, Lin-Tao; Wu, Xi; Su, Jing; Han, Chun; Wang, Zhi-Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• a: 21.263 ± 0.004 Å
• b: 12.366 ± 0.002 Å
• c: 19.608 ± 0.004 Å
• α: 90°
• β: 120.91 ± 0.03°
• γ: 90°
• Cell volume: 4423 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes