Information card for entry 7207389

Structure parameters

• Formula: C24 H26 Cu4 N8 O17 S2
• Calculated formula: C24 H26 Cu4 N8 O17 S2
• Title of publication: Synthesis and properties of five unexpected copper complexes with ring-cleavage of 3,6-di-2-pyridyl-1,2,4,5‒tetrazine by one pot in situ hydrothermal reaction
• Authors of publication: Cui, Jiehu; Huang, Liangfang; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2258
• a: 9.8549 ± 0.001 Å
• b: 12.9803 ± 0.0013 Å
• c: 13.1435 ± 0.0013 Å
• α: 88.025 ± 0.002°
• β: 78.041 ± 0.002°
• γ: 85.364 ± 0.002°
• Cell volume: 1639.2 ± 0.3 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: 0.0459
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No