Information card for entry 7240403

Structure parameters

• Formula: C4 H4 K N3 O5
• Calculated formula: C4 H4 K N3 O5
• Title of publication: Synthesis and investigation alkaline energetic coordination polymers based on 1,2,3-triazole-4,5-dicarboxylic acid for green component of pyrotechnic
• Authors of publication: Yang, Zhen-Li; Qin, Jian; Yang , Jun- Qing; Zhang, Jianguo
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 6.593 ± 0.0005 Å
• b: 17.391 ± 0.0013 Å
• c: 6.667 ± 0.0004 Å
• α: 90°
• β: 96.506 ± 0.002°
• γ: 90°
• Cell volume: 759.51 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No