Information card for entry 2022356

Structure parameters

• Chemical name: Poly[μ~3~-bromido-μ~2~-bromido-bromido-μ~3~-hydroxido-{μ~4~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}tricopper(II)]
• Formula: C19 H29 Br3 Cu3 N O6
• Calculated formula: C19 H29 Br3 Cu3 N O6
• 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: 9.0572 ± 0.0007 Å
• b: 10.6773 ± 0.0008 Å
• c: 26.743 ± 0.002 Å
• α: 90°
• β: 95.505 ± 0.003°
• γ: 90°
• Cell volume: 2574.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.451
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes