Information card for entry 7248069

Structure parameters

• Formula: C12 H12 Cl4 Cu N10 O6
• Calculated formula: C12 H12 Cl4 Cu N10 O6
• Title of publication: Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method
• Authors of publication: Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1178 - 1188
• a: 38.031 ± 0.003 Å
• b: 7.9094 ± 0.0008 Å
• c: 14.7249 ± 0.0011 Å
• α: 90°
• β: 102.767 ± 0.003°
• γ: 90°
• Cell volume: 4319.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No