Information card for entry 7123355

Structure parameters

• Formula: C168 H120 N48 O36 Zn13
• Calculated formula: C168 H120 N48 O36 Zn13
• Title of publication: Structural Regulation of Zinc-Porphyrin Frameworks via the Auxiliary Nitrogen-containing Ligands towards the Selective Adsorption of Cationic Dyes
• Authors of publication: Wang, Xiao-Ning; Li, Jiangli; Zhao, Yu-Meng; Pang, Jiandong; Li, Bao; Zhang, Tianle; Zhou, Hong-Cai
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.094 ± 0.0016 Å
• b: 24.29 ± 0.002 Å
• c: 24.738 ± 0.002 Å
• α: 61.042 ± 0.005°
• β: 73.947 ± 0.006°
• γ: 82.746 ± 0.006°
• Cell volume: 9647 ± 1.5 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 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: 0.1576
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.3024
• Weighted residual factors for all reflections included in the refinement: 0.3258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No