Information card for entry 2202840

Structure parameters

• Formula: C6 H2 Cl3 I
• Calculated formula: C6 H2 Cl3 I
• Title of publication: 2,4,5-Trichloro-1-iodobenzene
• Authors of publication: Kania-Korwel, Izabela; Robertson, Larry W.; Lehmler, Hans-Joachim; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1048 - o1049
• a: 3.9191 ± 0.0008 Å
• b: 10.894 ± 0.002 Å
• c: 9.852 ± 0.002 Å
• α: 90°
• β: 100.87 ± 0.03°
• γ: 90°
• Cell volume: 413.08 ± 0.15 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes