Information card for entry 7134830

Structure parameters

• Formula: C6 H9 Cl N8
• Calculated formula: C6 H9 Cl N8
• 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: 27.527 ± 0.004 Å
• b: 3.8158 ± 0.0005 Å
• c: 21.717 ± 0.003 Å
• α: 90°
• β: 128.059 ± 0.004°
• γ: 90°
• Cell volume: 1796.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No