Information card for entry 7720265

Structure parameters

• Formula: C30 H33 Ba2 Br3 Cu4 N5 O16.5
• Calculated formula: C30 H33 Ba2 Br3 Cu4 N5 O16.5
• Title of publication: A series of Cu<i>X</i> (<i>X</i> = Br and I) units 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 (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 4792 - 4801
• a: 9.2951 ± 0.0002 Å
• b: 11.6513 ± 0.0002 Å
• c: 20.1943 ± 0.0004 Å
• α: 74.916 ± 0.002°
• β: 81.305 ± 0.002°
• γ: 86.706 ± 0.002°
• Cell volume: 2087.04 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No