Information card for entry 2022129

Structure parameters

• Chemical name: Poly[[μ~3~-4,4',4''-(4,4,8,8,12,12-hexamethyl-8,12-dihydro-4<i>H</i>-benzo[9,1]quinolizino[3,4,5,6,7-<i>defg</i>]acridine-2,6,10-triyl)tribenzoato](μ~3~-hydroxido)dizinc(II)]
• Formula: C48 H37 N O7 Zn2
• Calculated formula: C48 H37 N O7 Zn2
• Title of publication: Syntheses and structures of two novel fluorescent metal‒organic frameworks generated from a tridentate donor‒acceptor motif ligand
• Authors of publication: Zhao, Yong-Jin; Ma, Jian-Ping; Fan, Jianzhong; Geng, Yan; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• a: 6.16863 ± 0.00014 Å
• b: 34.8853 ± 0.0008 Å
• c: 22.0643 ± 0.0004 Å
• α: 90°
• β: 91.825 ± 0.002°
• γ: 90°
• Cell volume: 4745.71 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No