Information card for entry 2212941

Structure parameters

• Chemical name: 1,2,4-Triiodobenzene
• Formula: C6 H3 I3
• Calculated formula: C6 H3 I3
• SMILES: Ic1c(I)cc(I)cc1
• Title of publication: 1,2,4-Triiodobenzene
• Authors of publication: Novak, Igor
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1542 - o1543
• a: 12.6534 ± 0.0014 Å
• b: 16.1729 ± 0.0019 Å
• c: 4.3244 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 884.95 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 32
• Hermann-Mauguin space group symbol: P b a 2
• Hall space group symbol: P 2 -2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes