Information card for entry 8105782

Structure parameters

• Chemical name: 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide
• Formula: C12 H6 Cl2 N4 O5
• Calculated formula: C12 H6 Cl2 N4 O5
• Title of publication: The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5
• Authors of publication: Cao, Junyan; Wang, Jianlong; Chen, Jun; Zhang, Xiyu; Qin, Zhiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 571 - 572
• a: 8.1022 ± 0.0014 Å
• b: 9.6916 ± 0.0017 Å
• c: 10.2476 ± 0.0017 Å
• α: 78.346 ± 0.004°
• β: 68.657 ± 0.004°
• γ: 71.167 ± 0.004°
• Cell volume: 706.1 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No