Information card for entry 2312390

Structure parameters

• Common name: 1,4-Diiodoperchlorobenzene–naphthalene (1/1)
• Chemical name: 1,2,4,5-Tetrachloro-3,6-diiodobenzene–naphthalene (1/1)
• Formula: C16 H8 Cl4 I2
• Calculated formula: C16 H8 Cl4 I2
• Title of publication: Co-crystal sustained by π-type halogen-bonding inter-actions between 1,4-di-iodo-perchloro-benzene and naphthalene.
• Authors of publication: Bosch, Eric; Reinheimer, Eric W.; Unruh, Daniel K.; Groeneman, Ryan H.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 10
• Pages of publication: 958 - 961
• a: 5.483 ± 0.0007 Å
• b: 6.4533 ± 0.0011 Å
• c: 12.171 ± 0.002 Å
• α: 87.274 ± 0.005°
• β: 85.912 ± 0.005°
• γ: 82.629 ± 0.009°
• Cell volume: 425.69 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0172
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes