Information card for entry 7245597

Structure parameters

• Formula: C28 H16 Cl4 Cu2 N8 O28
• Calculated formula: C28 H16 Cl4 Cu2 N8 O28
• Title of publication: NIR light-driving deflagration of energetic copper complexes through photothermal effect
• Authors of publication: Tan, Bin; Chen, Chao; Chen, Yun-Rui; Zhang, Jie; Yang, Guo-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.1283 ± 0.0007 Å
• b: 23.4063 ± 0.0019 Å
• c: 11.9716 ± 0.001 Å
• α: 90°
• β: 108.067 ± 0.009°
• γ: 90°
• Cell volume: 2165.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No