Information card for entry 7119673

Structure parameters

• Formula: C3 H Cu N7
• Calculated formula: C3 H Cu N7
• Title of publication: A solvent-free dense energetic metal-organic framework (EMOF): to improve stability and energetic performance via in situ microcalorimetry.
• Authors of publication: Zhang, Yinli; Zhang, Sheng; Sun, Lin; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 3034 - 3037
• a: 8.934 ± 0.004 Å
• b: 9.067 ± 0.005 Å
• c: 14.698 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1190.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No