Information card for entry 7229829

Structure parameters

• Formula: C116 H78 N12 O22 S3 Zn4
• Calculated formula: C116 H74 N12 O20 S3 Zn4
• Title of publication: Assembly of ZnII-coordination polymers constructed from benzothiadiazole functionalized bipyridines and V-shaped dicarboxylic acids: topology variety, photochemical and visible-light-driven photocatalytic properties
• Authors of publication: Song, Wei-Chao; Liang, Ling; Cui, Xun-Zhe; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 668
• a: 13.3978 ± 0.0006 Å
• b: 14.469 ± 0.0008 Å
• c: 15.9117 ± 0.0005 Å
• α: 95.51 ± 0.004°
• β: 104.353 ± 0.004°
• γ: 116.956 ± 0.005°
• Cell volume: 2584.9 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No