Information card for entry 7229552

Structure parameters

• Formula: C32 H22 Cu N6 O5
• Calculated formula: C32 H22 Cu N6 O5
• Title of publication: Metal-Organic Frameworks Based on Halogen-bridged Dinuclear-Cu-nodes as Promising Materials for High Performance Supercapacitor Electrodes
• Authors of publication: li, bao; xiong, xin; zhou, liuyin; Cao, Wenjie; Yu, Fan; Liang, Jiyuan; Wang, Yazheng; Hu, Si-Qian
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 15.249 ± 0.003 Å
• b: 14.078 ± 0.003 Å
• c: 16.178 ± 0.003 Å
• α: 90°
• β: 117.2 ± 0.03°
• γ: 90°
• Cell volume: 3089 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No