Information card for entry 7231907

Structure parameters

• Formula: C8 H5 Cu2 N6 O8
• Calculated formula: C8 H5 Cu2 N6 O8
• Title of publication: Auxiliary ligand-directed synthesis of 3D energetic coordination polymer from discrete complex: enhanced energy density, thermal stability and energy performance
• Authors of publication: Guo, Zhaoqi; Wang, Yu; Liu, Xuemin; Zhang, Cong; Zhang, Yazhou; Ma, Haixia
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 462
• a: 7.889 ± 0.0011 Å
• b: 8.2289 ± 0.0008 Å
• c: 19.101 ± 0.002 Å
• α: 90°
• β: 96.213 ± 0.004°
• γ: 90°
• Cell volume: 1232.7 ± 0.2 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No