Information card for entry 7720264

Structure parameters

• Formula: C24 H14 Ba2 Br2 Cu2 F4 N4 O9
• Calculated formula: C24 H14 Ba2 Br2 Cu2 F4 N4 O9
• Title of publication: A series of CuX (X = Br, I) modules bearing Ba-MOFs: Structures, fluorescence and sensing properties
• Authors of publication: Peng, Can; Zhang, Sheng-Mao; Liu, Jin-Mei; Wang, Nian-Hao; Tian, Lin-Xu; Ping, Xue-hao; Zhao, Jia-jing; Wu, Zhao-Feng; Huang, Xiao-Ying
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 7.0307 ± 0.0003 Å
• b: 12.5506 ± 0.0006 Å
• c: 32.798 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2894.1 ± 0.2 ų
• Cell temperature: 280 ± 2 K
• Ambient diffraction temperature: 280 ± 2 K
• Number of distinct elements: 8
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No