Information card for entry 7224105

Structure parameters

• Formula: C64 H24 N8 O62 Zn13
• Calculated formula: C64 H24 N8 O62 Zn13
• 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: 12.882 ± 0.005 Å
• b: 14.292 ± 0.006 Å
• c: 16.936 ± 0.008 Å
• α: 110.255 ± 0.009°
• β: 99.167 ± 0.011°
• γ: 106.39 ± 0.009°
• Cell volume: 2690 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2034
• Residual factor for significantly intense reflections: 0.1636
• Weighted residual factors for significantly intense reflections: 0.4142
• Weighted residual factors for all reflections included in the refinement: 0.4428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No