Information card for entry 2022128

Structure parameters

• Chemical name: <i>catena</i>-Poly[[triaquacadmium(II)]-μ-10-(4-carboxyphenyl)-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-diyl)dibenzoato]
• Formula: C48 H43 Cd N O9
• Calculated formula: C48 H43 Cd N O9
• 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: 10.557 ± 0.0004 Å
• b: 11.7711 ± 0.0005 Å
• c: 20.7242 ± 0.0009 Å
• α: 89.106 ± 0.003°
• β: 87.402 ± 0.003°
• γ: 66.982 ± 0.004°
• Cell volume: 2367.86 ± 0.18 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0432
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No