Information card for entry 4518382

Structure parameters

• Formula: C5 H3 Cu N11 O3
• Calculated formula: C5 H3 Cu N11 O3
• Title of publication: Improved Detonation Performance Via Coordination Substitution: Synthesis and Characterization of Two New Green Energetic Coordination Polymers
• Authors of publication: Yang, Guoli; Li, Xi; Wang, Meng; Xia, Zhengqiang; Yang, Qi; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli; Lu, Jack Y.
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2020
• a: 7.0128 ± 0.0016 Å
• b: 14.53 ± 0.003 Å
• c: 9.644 ± 0.002 Å
• α: 90°
• β: 93.91 ± 0.004°
• γ: 90°
• Cell volume: 980.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No