Information card for entry 7720626

Structure parameters

• Formula: C10 H16 Cl2 Cu N8 O10
• Calculated formula: C10 H16 Cl2 Cu N8 O10
• Title of publication: Position-Oriented N-Methylation Engineering: Multidimensional Regulation of Energy-Safety Balance in Energetic Copper Complexes
• Authors of publication: Zhang, Chao; Wang, Tingwei; Li, Shaoqun; Lu, Zu-Jia; Li, Cong; Xu, Meiqi; Zhao, Binshan; Yu, Qiyao; Zhang, Jianguo
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 10.5426 ± 0.0012 Å
• b: 7.6257 ± 0.0009 Å
• c: 12.224 ± 0.0013 Å
• α: 90°
• β: 97.387 ± 0.002°
• γ: 90°
• Cell volume: 974.59 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No