Information card for entry 2022355

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua-μ~2~-bromido-di-μ~3~-hydroxido-methanoldinitratotetracopper(II)]-bis{μ~4~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}] nitrate]
• Formula: C39 H64 Br Cu4 N5 O23
• Calculated formula: C39 H64 Br Cu4 N5 O23
• 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: 9.4872 ± 0.0013 Å
• b: 10.7297 ± 0.0014 Å
• c: 25.92 ± 0.002 Å
• α: 89.116 ± 0.003°
• β: 87.262 ± 0.003°
• γ: 89.258 ± 0.002°
• Cell volume: 2635 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes