Information card for entry 2204838

Structure parameters

• Chemical name: 4,4'-diiodobiphenyl
• Formula: C12 H8 I2
• Calculated formula: C12 H8 I2
• SMILES: Ic1ccc(cc1)c1ccc(cc1)I
• Title of publication: 4,4'-Diiodobiphenyl
• Authors of publication: Britton, Doyle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o187 - o188
• a: 7.4189 ± 0.0018 Å
• b: 25.667 ± 0.006 Å
• c: 5.9653 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1135.9 ± 0.5 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes