Information card for entry 7132097

Structure parameters

• Formula: C57 H52 Cl12 N4
• Calculated formula: C57 H52 Cl12 N4
• Title of publication: Two and Three-Dimensional Halogen-Bonded Frameworks: Self-assembly Influenced by Crystallization Solvents
• Authors of publication: Liu, Chuan-Zhi; Wang, Jingjing; Yang, Bo; Li, Zhongyi; Yan, Meng; Liu, Xinming; Hu, Zhiyuan; Liu, Lantao; Li, Zhan-Ting
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 21.037 ± 0.005 Å
• b: 21.037 ± 0.005 Å
• c: 14.026 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6207 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1792
• Residual factor for significantly intense reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.2597
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No