Information card for entry 7207391

Structure parameters

• Formula: C14 H8 Cu2 N6 O
• Calculated formula: C14 H8 Cu2 N6 O
• 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: 9.763 ± 0.002 Å
• b: 15.902 ± 0.004 Å
• c: 9.503 ± 0.002 Å
• α: 90°
• β: 109.733 ± 0.004°
• γ: 90°
• Cell volume: 1388.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No