Information card for entry 7062892

Structure parameters

• Formula: C4 H11 N11 O5 Zn2
• Calculated formula: C4 H11 N11 O5 Zn2
• Title of publication: Nitrate anions embedded in rigid and cationic 3D energetic MOFs constructed by the chelating ligand towards insensitive energetic materials
• Authors of publication: Wang, Qin; Yan, Yun-Fan; Weng, Jiao-Lin; Huang, Ying; Yang, Fu; Xie, Hao-Hui; Tan, Fei; Zheng, Fa-Kun; Xu, Jian-Gang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 811 - 818
• a: 8.215 ± 0.0003 Å
• b: 17.8423 ± 0.0006 Å
• c: 8.6996 ± 0.0003 Å
• α: 90°
• β: 105.56 ± 0.003°
• γ: 90°
• Cell volume: 1228.41 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No