Information card for entry 7041814

Structure parameters

• Formula: C2 H3 N9 O Pb
• Calculated formula: C2 H3 N9 O Pb
• Title of publication: Three new energetic complexes with N,N-bis(1H-tetrazole-5-yl)-amine as high energy density materials: syntheses, structures, characterization and effects on the thermal decomposition of RDX.
• Authors of publication: Yang, Qi; Song, Xiaxia; Zhang, Wendou; Hou, Lei; Gong, Qibing; Xie, Gang; Wei, Qing; Chen, Sanping; Gao, Shengli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 2626 - 2634
• a: 10.6068 ± 0.0016 Å
• b: 6.5724 ± 0.001 Å
• c: 11.3962 ± 0.0017 Å
• α: 90°
• β: 112.778 ± 0.002°
• γ: 90°
• Cell volume: 732.5 ± 0.19 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: 0.0282
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No