Information card for entry 7059157

Structure parameters

• Formula: C4 H6 Cs N9 O3
• Calculated formula: C4 H6 Cs N9 O3
• Title of publication: Novel 3D cesium(i)-based EMOFs of nitrogen-rich triazole derivatives as “green” orange-light pyrotechnics
• Authors of publication: Wang, Tingwei; Zhou, Jinyang; Zhang, Qi; Zhang, Lin; Zhu, Shunguan; Li, Yan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1278 - 1284
• a: 7.09549 ± 0.00018 Å
• b: 10.8347 ± 0.0003 Å
• c: 12.9313 ± 0.0003 Å
• α: 90°
• β: 89.883 ± 0.002°
• γ: 90°
• Cell volume: 994.12 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.06
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No