Information card for entry 7235756

Structure parameters

• Formula: C3 H3 N7 O Pb
• Calculated formula: C3 H3 N7 O Pb
• Title of publication: High-energy-density materials with remarkable thermostability and insensitivity: syntheses, structures and physicochemical properties of Pb(ii) compounds with 3-(tetrazol-5-yl) triazole
• Authors of publication: Gao, Wenjuan; Liu, Xiangyu; Su, Zhiyong; Zhang, Sheng; Yang, Qi; Wei, Qing; Chen, Sanping; Xie, Gang; Yang, Xuwu; Gao, Shengli
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 30
• Pages of publication: 11958
• a: 3.901 ± 0.0016 Å
• b: 23.862 ± 0.01 Å
• c: 7.561 ± 0.003 Å
• α: 90°
• β: 104.419 ± 0.006°
• γ: 90°
• Cell volume: 681.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No