Information card for entry 7040587

Structure parameters

• Formula: C2 H2 N8 O3 Pb
• Calculated formula: C2 H2 N8 O3 Pb
• SMILES: c1(n(nnn1)[O-])c1n(nnn1)[O-].[OH2][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: 14.342 ± 0.003 Å
• b: 6.5757 ± 0.0012 Å
• c: 8.4715 ± 0.0016 Å
• α: 90°
• β: 121.21 ± 0.03°
• γ: 90°
• Cell volume: 683.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No