Information card for entry 7720266

Structure parameters

• Formula: C69 H68 Ba2 Cu7 I6 K5 N13 O26.5
• Calculated formula: C69 H64 Ba2 Cu7 I6 K5 N13 O26.5
• 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: 10.6665 ± 0.0002 Å
• b: 14.1811 ± 0.0003 Å
• c: 18.5074 ± 0.0003 Å
• α: 105.729 ± 0.002°
• β: 102.88 ± 0.002°
• γ: 100.66 ± 0.002°
• Cell volume: 2535.42 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No