Information card for entry 7134831

Structure parameters

• Formula: C6 H9 Cl N8 O4
• Calculated formula: C6 H9 Cl N8 O4
• Title of publication: Tetraamino-driven hydrogen-bonded networks: selective self-assembly of energetic materials.
• Authors of publication: Wang, Yaxi; Liu, Junliang; He, Jinxuan; Ren, Xiaoting; Hu, Lu; Pang, Siping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 71
• Pages of publication: 13433 - 13436
• a: 6.8415 ± 0.0007 Å
• b: 15.8632 ± 0.0013 Å
• c: 9.8345 ± 0.0009 Å
• α: 90°
• β: 92.574 ± 0.003°
• γ: 90°
• Cell volume: 1066.24 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0904
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No