Information card for entry 7125722

Structure parameters

• Formula: C4 H2 Cl2 N4 O2
• Calculated formula: C4 H2 Cl2 N4 O2
• Title of publication: 5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.
• Authors of publication: Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1493 - 1496
• a: 16.0864 ± 0.001 Å
• b: 12.7175 ± 0.0008 Å
• c: 7.1186 ± 0.0005 Å
• α: 90°
• β: 99.45 ± 0.002°
• γ: 90°
• Cell volume: 1436.55 ± 0.16 ų
• Cell temperature: 227 K
• Ambient diffraction temperature: 227 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: 0.0561
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No