Information card for entry 8102664

Structure parameters

• Chemical name: bis(4-iodophenyl)methane
• Formula: C13 H10 I2
• Calculated formula: C13 H10 I2
• SMILES: Ic1ccc(cc1)Cc1ccc(I)cc1
• Title of publication: Crystal structure of bis(4-iodophenyl)methane, C13H10I2, at 113 K
• Authors of publication: Xiao-Yan Ma; Fang Bai; Yang Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 291
• a: 8.6739 ± 0.0017 Å
• b: 6.1553 ± 0.0012 Å
• c: 23.393 ± 0.005 Å
• α: 90°
• β: 90.03 ± 0.03°
• γ: 90°
• Cell volume: 1249 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No