Information card for entry 4509043

Structure parameters

• Formula: C14 H16 B2 Cu F8 N8 O2
• Calculated formula: C14 H16 B2 Cu F8 N8 O2
• Title of publication: Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion
• Authors of publication: Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 2137
• a: 16.9328 ± 0.0012 Å
• b: 16.9328 ± 0.0012 Å
• c: 46.598 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11571 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1461
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2553
• Weighted residual factors for all reflections included in the refinement: 0.3286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No