Information card for entry 4004044

Structure parameters

• Common name: NaCu3(C2H3N4)4
• Chemical name: 'NaCu3(C2H3N4)4'
• Formula: C8 H12 Cu3 N16 Na
• Calculated formula: C8 H12 Cu3 N16 Na
• Title of publication: Ultra-Stable Metal–Organic Framework with Concurrent High Proton Conductivity and Fluorescence Sensing for Nitrobenzene
• Authors of publication: Lu, Ying-Bing; Liao, Ya-Qing; Dong, Lu; Zhu, Shui-Dong; Wen, He-Rui; Huang, Jing; Dai, Xue-Xun; Lian, Ping; Jiang, Xiao-Ming; Li, Rong; Xie, Yong-Rong
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 7858 - 7868
• a: 16.378 ± 0.003 Å
• b: 16.378 ± 0.003 Å
• c: 27.376 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7343 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.429
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No