Information card for entry 2018669

Structure parameters

• Chemical name: 3-(Diiodoarsanyl)benzoic acid
• Formula: C7 H5 As I2 O2
• Calculated formula: C7 H5 As I2 O2
• Title of publication: <i>X</i>-(Diiodoarsanyl)benzoic acid (<i>X</i> = 3 and 4)
• Authors of publication: Ilyin, Igor Yu.; Pushkarevsky, Nikolay A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergey N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m323 - m325
• a: 7.6751 ± 0.0005 Å
• b: 18.6142 ± 0.0012 Å
• c: 22.0692 ± 0.0012 Å
• α: 90°
• β: 90.206 ± 0.002°
• γ: 90°
• Cell volume: 3152.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes