Information card for entry 2212248

Structure parameters

• Chemical name: 1,2,3-Triiodobenzene
• Formula: C6 H3 I3
• Calculated formula: C6 H3 I3
• SMILES: Ic1c(I)c(I)ccc1
• Title of publication: 1,2,3-Triiodobenzene
• Authors of publication: Novak, Igor; Li, Dongbo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o438 - o439
• a: 7.2439 ± 0.0005 Å
• b: 10.4665 ± 0.0007 Å
• c: 11.7952 ± 0.0008 Å
• α: 90.45 ± 0.05°
• β: 96.869 ± 0.005°
• γ: 90.84 ± 0.05°
• Cell volume: 887.74 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No