Information card for entry 7040007

Structure parameters

• Formula: C2 H2 N8 O3 Pb
• Calculated formula: C2 H2 N8 O3 Pb
• Title of publication: A novel 3D energetic MOF of high energy content: synthesis and superior explosive performance of a Pb(ii) compound with 5,5'-bistetrazole-1,1'-diolate.
• Authors of publication: Shang, Yu; Jin, Bo; Peng, Rufang; Liu, Qiangqiang; Tan, Bisheng; Guo, Zhicheng; Zhao, Jun; Zhang, Qingchun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13881 - 13887
• a: 12.3106 ± 0.0003 Å
• b: 6.57573 ± 0.00017 Å
• c: 8.4715 ± 0.0003 Å
• α: 90°
• β: 94.85 ± 0.003°
• γ: 90°
• Cell volume: 683.32 ± 0.03 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0214
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No