Information card for entry 1560716

Structure parameters

• Formula: C8 H12 Cu2 N17 O4
• Calculated formula: C8 H12 Cu2 N17 O4
• Title of publication: Design and synthesis of two energetic coordination polymers based on copper ion and 1H,1′H-[5,5′-bitetrazole]-1,1′-diol: A comparative study of the structure-property relationships
• Authors of publication: Guo, Zhaoqi; Liu, Xuemin; Chen, Xiang; Zhang, Cong; Yang, Guoping; Zhang, Yazhou; Ma, Haixia
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 268
• Pages of publication: 55 - 61
• a: 11.85 ± 0.002 Å
• b: 11.85 ± 0.002 Å
• c: 13.084 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1837.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No