Information card for entry 3500136

Structure parameters

• Common name: 4,4'-Diiodobenzophenone
• Formula: C13 H8 I2 O
• Calculated formula: C13 H8 I2 O
• Title of publication: 4,4'-Diiodobenzophenone
• Authors of publication: Maris, Thierry; Arseneault, Mathieu; Wuest, James D.
• Journal of publication: Personal communication to COD
• Year of publication: 2023
• a: 7.4381 ± 0.0008 Å
• b: 28.138 ± 0.003 Å
• c: 6.0551 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1267.3 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes