Information card for entry 2019613

Structure parameters

• Chemical name: Poly[[bis(μ~2~-benzene-1,4-dicarboxylato){μ~4~-<i>N</i>^1^,<i>N</i>^3^,<i>N</i>^5^-tris[(pyridin-3-yl)methyl]benzene-1,3,5-tricarboxamide}dizinc(II)] 0.22-hydrate]
• Formula: C43 H34 N6 O12 Zn2
• Calculated formula: C43 H32 N6 O12 Zn2
• Title of publication: An acylamide metal‒organic framework with an unprecedented four-connecting trinodal topology and amide oxygen coordination
• Authors of publication: Li, Jian-Qiang; Wu, Xiao-Liu; Liu, Shu-Juan; Luo, Ming-Biao
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• a: 10.6904 ± 0.0004 Å
• b: 13.9661 ± 0.0006 Å
• c: 15.2652 ± 0.0006 Å
• α: 69.182 ± 0.002°
• β: 72.346 ± 0.002°
• γ: 80.313 ± 0.002°
• Cell volume: 2025.33 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes