Information card for entry 2010612

Structure parameters

• Chemical name: (iodobromo)triphenylarsenic
• Formula: C18 H15 As Br I
• Calculated formula: C18 H15 As Br I
• SMILES: Br[I][As](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (Triphenylarsine)iodinemonobromine: a charge-transfer adduct in which arsenic selectively bonds to iodine
• Authors of publication: Cross, Wendy I.; Dahalan, Mohjat Z.; Godfrey, Stephen M.; Jaiboon, Nongnuch; McAuliffe, Charles A.; Pritchard, Robin G.; Thompson, Graeme M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 140 - 141
• a: 9.1198 ± 0.0013 Å
• b: 9.96 ± 0.002 Å
• c: 19.483 ± 0.003 Å
• α: 90°
• β: 92.176 ± 0.012°
• γ: 90°
• Cell volume: 1768.4 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.053
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes