Information card for entry 2207958

Structure parameters

• Chemical name: 1,3,5-triiodobenzene
• Formula: C6 H3 I3
• Calculated formula: C6 H3 I3
• SMILES: Ic1cc(I)cc(I)c1
• Title of publication: 1,3,5-Triiodobenzene
• Authors of publication: Margraf, Dominik; Bats, Jan W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o502 - o504
• a: 4.3287 ± 0.0006 Å
• b: 14.224 ± 0.002 Å
• c: 14.515 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 893.7 ± 0.2 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes