Information card for entry 7041813

Structure parameters

• Formula: C4 H16 Cu N18 O7 Pb
• Calculated formula: C4 H16 Cu N18 O7 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: 6.8365 ± 0.0012 Å
• b: 12.453 ± 0.002 Å
• c: 13.026 ± 0.002 Å
• α: 110.877 ± 0.002°
• β: 103.778 ± 0.003°
• γ: 100.585 ± 0.003°
• Cell volume: 961.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No