Information card for entry 7224104

Structure parameters

• Formula: C28 H18 Br2 N2 O8 Zn2
• Calculated formula: C28 H18 Br2 N2 O8 Zn2
• Title of publication: Structural diversity of a series of coordination polymers built from 5-substituted isophthalic acid with or without a methyl-functionalized N-donor ligand
• Authors of publication: Ma, De-Yun; Qin, Liang; Lei, Jia-Mei; Liang, Yun-Qiu; Lin, Wei-Jie; Yan, Jing-Jing; Ding, Wan-Qiu; Guo, Hai-Fu; Ling, Yun
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1363
• a: 14.0217 ± 0.0002 Å
• b: 31.3444 ± 0.0005 Å
• c: 27.9952 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12303.9 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.1373
• Weighted residual factors for significantly intense reflections: 0.3158
• Weighted residual factors for all reflections included in the refinement: 0.3162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No