Information card for entry 7229827

Structure parameters

• Formula: C48 H32 N6 O8 S Zn2
• Calculated formula: C48 H32 N6 O8 S1.002 Zn2
• 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: 16.25176 ± 0.00016 Å
• b: 16.25176 ± 0.00016 Å
• c: 16.6475 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4396.93 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No