Information card for entry 7237668

Structure parameters

• Formula: C3 H6 N6 O6
• Calculated formula: C3 H6 N6 O6
• Title of publication: High density assembly of energetic molecules under the constraint of defected 2D materials
• Authors of publication: Yan, Qi-Long; Yang, Zhijian; Zhang, Xue-Xue; Lyu, Jie-Yao; He, Wei; Huang, Shi; Liu, Pei-Jin; Zhang, Chaoyang; Zhang, Qing-Hua; He, Guo-Qiang; Nie, Fu-De
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 30
• Pages of publication: 17806
• a: 11.545 ± 0.004 Å
• b: 10.663 ± 0.003 Å
• c: 13.185 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1623.1 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No