Information card for entry 7055683

Structure parameters

• Formula: C10 H6 Cu N6 O8
• Calculated formula: C10 H6 Cu N6 O8
• Title of publication: Two energetic complexes incorporating 3,5-dinitrobenzoic acid and azole ligands: microwave-assisted synthesis, favorable detonation properties, insensitivity and effects on the thermal decomposition of RDX
• Authors of publication: Yang, Qi; Ge, Jing; Gong, Qibing; Song, Xiaxia; Zhao, Jinwen; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 7779
• a: 7.9317 ± 0.001 Å
• b: 8.7062 ± 0.001 Å
• c: 11.2388 ± 0.0015 Å
• α: 100.563 ± 0.002°
• β: 107.502 ± 0.002°
• γ: 104.506 ± 0.002°
• Cell volume: 687.88 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No