Information card for entry 2210485

Structure parameters

• Common name: 2,3,6-Trichloroiodobenzene
• Chemical name: 2,3,6-Trichloro-1-iodobenzene
• Formula: C6 H2 Cl3 I
• Calculated formula: C6 H2 Cl3 I
• SMILES: Clc1ccc(c(c1I)Cl)Cl
• Title of publication: 2,3,6-Trichloroiodobenzene
• Authors of publication: Shaikh, Nadim S.; Swenson, Dale C.; Lehmler, Hans-J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4672 - o4673
• a: 16.4873 ± 0.0016 Å
• b: 4.053 ± 0.0004 Å
• c: 12.7746 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 853.64 ± 0.15 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes