Information card for entry 7043856

Structure parameters

• Formula: C4 H4 N18 O3 Pb3
• Calculated formula: C4 H4 N18 O3 Pb3
• Title of publication: In situ synthesized 3D metal-organic frameworks (MOFs) constructed from transition metal cations and tetrazole derivatives : a family of insensitive energetic materials
• Authors of publication: Xu, Yuangang; Liu, wei; li, dongxue; Chen, Houhe; Lu, Ming
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.106 ± 0.003 Å
• b: 10.342 ± 0.003 Å
• c: 15.143 ± 0.005 Å
• α: 90°
• β: 99.523 ± 0.005°
• γ: 90°
• Cell volume: 1560.9 ± 0.8 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No