Information card for entry 7249675

Structure parameters

• Formula: C4 H5 K N12 O
• Calculated formula: C4 H5 K N12 O
• Title of publication: Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities
• Authors of publication: Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 277 - 283
• a: 6.7583 ± 0.0002 Å
• b: 7.8975 ± 0.0002 Å
• c: 9.8534 ± 0.0003 Å
• α: 85.648 ± 0.002°
• β: 73.651 ± 0.002°
• γ: 87.923 ± 0.002°
• Cell volume: 503.13 ± 0.03 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No