Information card for entry 7714373

Structure parameters

• Formula: C6 H8 Cu N18 O2
• Calculated formula: C6 H8 Cu N18 O2
• SMILES: [Cu]12([n]3c(nc(nc3Nc3n2nnn3)Nc2[nH]nnn2)Nc2n1nnn2)([OH2])[OH2]
• Title of publication: In situ growth of copper-based energetic complexes on GO and MXene to synergistically promote the thermal decomposition of ammonium perchlorate
• Authors of publication: Li, Shuting; Li, Min; Han, Jinxi; Xia, Zhengqiang; Chen, Sanping; Xie, Gang; Gao, Sheng-Li; Lu, Jack; Yang, Qi
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 6.883 ± 0.0018 Å
• b: 9.131 ± 0.003 Å
• c: 12.186 ± 0.003 Å
• α: 101.122 ± 0.004°
• β: 103.119 ± 0.005°
• γ: 106.744 ± 0.004°
• Cell volume: 686.3 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 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: 0.0703
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No