Information card for entry 7235499

Structure parameters

• Formula: C7 H3 Cu N5 O6
• Calculated formula: C7 H3 Cu N5 O6
• Title of publication: 3D high-energy-density and low sensitivity materials: synthesis, structure and physicochemical properties of an azide‒Cu(ii) complex with 3,5-dinitrobenzoic acid
• Authors of publication: Liu, Xiangyu; Yang, Qi; Su, Zhiyong; Chen, Sanping; Xie, Gang; Wei, Qing; Gao, Shengli
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 31
• Pages of publication: 16087
• a: 6.747 ± 0.002 Å
• b: 9.047 ± 0.003 Å
• c: 16.973 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1036 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No