Information card for entry 8105225

Structure parameters

• Formula: C12 H6 Cl2 N4 O5
• Calculated formula: C12 H6 Cl2 N4 O5
• Title of publication: The crystal structure of 2-(4-chloro-6-nitrophenyl)-1-(4-chloro-3-nitrophenyl)diazene 1-oxide, C12H6Cl2N4O5
• Authors of publication: Cai, Cao; Jingqi, Wang; Min, Li; Jun, Chen; Jianlong, Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 583 - 584
• a: 11.4268 ± 0.0016 Å
• b: 5.125 ± 0.0008 Å
• c: 23.569 ± 0.004 Å
• α: 90°
• β: 91.738 ± 0.006°
• γ: 90°
• Cell volume: 1379.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0995
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No