Information card for entry 7245599

Structure parameters

• Formula: C21 H13 Cl3 Cu2 N6 O22
• Calculated formula: C21 H13 Cl3 Cu2 N6 O22
• 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: 8.1404 ± 0.0003 Å
• b: 14.6857 ± 0.0008 Å
• c: 14.8527 ± 0.0007 Å
• α: 111.203 ± 0.005°
• β: 104.809 ± 0.004°
• γ: 99.771 ± 0.004°
• Cell volume: 1531.23 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0774
• 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