Information card for entry 2001646

Structure parameters

• Formula: C6 Cl3 N3 O6
• Calculated formula: C6 Cl3 N3 O6
• Title of publication: Structure of 1,3,5-trichloro-2,4,6-trinitrobenzene
• Authors of publication: Gerard, F.; Hardy, A.; Becuwe, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1215 - 1218
• a: 12.137 ± 0.002 Å
• b: 12.181 ± 0.002 Å
• c: 11.694 ± 0.002 Å
• α: 100.39 ± 0.01°
• β: 100.1 ± 0.01°
• γ: 78.02 ± 0.01°
• Cell volume: 1646.3 ± 0.5 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for significantly intense reflections: 1.33
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No