Information card for entry 7218935

Structure parameters

• Formula: C3 H2 Cu N7
• Calculated formula: C3 H2 Cu N7
• Title of publication: Environmentally-friendly high-energy MOFs: crystal structure, thermostability, insensitivity and remarkable detonation performance
• Authors of publication: Liu, Xiangyu; Gao, Wenjuan; Sun, Panpan; Su, Zhiyong; Chen, Sanping; Wei, Qing; Xie, Gang; Gao, Shengli
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 831 - 836
• a: 8.63 ± 0.003 Å
• b: 9.867 ± 0.003 Å
• c: 6.736 ± 0.002 Å
• α: 90°
• β: 108.297 ± 0.006°
• γ: 90°
• Cell volume: 544.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1081
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No