Information card for entry 7044102

Structure parameters

• Formula: C3 H4 Cu N8 O4
• Calculated formula: C3 H4 Cu N8 O4
• Title of publication: Axial substitution of precursor resulted in two high-energy copper(II) complexes with superior detonation performances
• Authors of publication: Li, Xin; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Sheng-li
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.914 ± 0.007 Å
• b: 10.497 ± 0.009 Å
• c: 9.251 ± 0.008 Å
• α: 90°
• β: 106.776 ± 0.013°
• γ: 90°
• Cell volume: 828.8 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No