Information card for entry 2022357

Structure parameters

• Chemical name: Poly[bromido{μ~3~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}zinc(II)]
• Formula: C19 H28 Br N O5 Zn
• Calculated formula: C19 H28 Br N O5 Zn
• Title of publication: Three coordination polymers built by quaternary-ammonium-modified isophthalic acid
• Authors of publication: Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• Pages of publication: 221 - 226
• a: 11.5479 ± 0.0007 Å
• b: 14.7949 ± 0.001 Å
• c: 12.3782 ± 0.0009 Å
• α: 90°
• β: 99.813 ± 0.002°
• γ: 90°
• Cell volume: 2083.9 ± 0.2 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes