Information card for entry 1552118

Structure parameters

• Chemical name: 1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate
• Formula: C12 H6 Cl4 I2
• Calculated formula: C12 H6 Cl4 I2
• SMILES: c1(c(Cl)c(c(c(c1Cl)Cl)I)Cl)I.c1ccccc1
• Title of publication: 1,2,4,5-Tetrachloro-3,6-diiodobenzene benzene monosolvate
• Authors of publication: Bosch, Eric
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 7
• Pages of publication: x190993
• a: 5.4399 ± 0.0004 Å
• b: 6.3599 ± 0.0004 Å
• c: 11.0232 ± 0.0008 Å
• α: 96.702 ± 0.001°
• β: 92.728 ± 0.001°
• γ: 98.599 ± 0.001°
• Cell volume: 373.69 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0134
• Residual factor for significantly intense reflections: 0.0131
• Weighted residual factors for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes