Information card for entry 7043855

Structure parameters

• Formula: C18 H27 Cd5 N36
• Calculated formula: C18 H27 Cd5 N36
• 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: 13.149 ± 0.002 Å
• b: 13.149 ± 0.002 Å
• c: 13.596 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2035.8 ± 0.6 ų
• Cell temperature: 205 K
• Ambient diffraction temperature: 205 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1915
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No