Information card for entry 4512865

Structure parameters

• Formula: C18 H10 Cu N8 O4
• Calculated formula: C18 H10 Cu N8 O4
• Title of publication: Sorption Properties and Nitroaromatic Explosives Sensing Based on Two Isostructural Metal‒Organic Frameworks
• Authors of publication: He, Hongming; Song, Yang; Sun, Fuxing; Zhao, Nian; Zhu, Guangshan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 2033
• a: 19.2692 ± 0.0003 Å
• b: 19.2692 ± 0.0003 Å
• c: 24.45 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7862.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2763
• Weighted residual factors for all reflections included in the refinement: 0.2915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No