Information card for entry 2211489

Structure parameters

• Common name: 1,2,4,5-tetraiodobenzene
• Chemical name: 1,2,4,5-tetraiodobenzene
• Formula: C6 H2 I4
• Calculated formula: C6 H2 I4
• SMILES: Ic1cc(I)c(cc1I)I
• Title of publication: 1,2,4,5-Tetraiodobenzene
• Authors of publication: Novak, Igor; Li, DongBo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5736 - o5737
• a: 17.8144 ± 0.0008 Å
• b: 7.4999 ± 0.0008 Å
• c: 7.9125 ± 0.0008 Å
• α: 90°
• β: 102.203 ± 0.002°
• γ: 90°
• Cell volume: 1033.27 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes