Information card for entry 7250732

Structure parameters

• Formula: As4 Br H4 N O6
• Calculated formula: As4 Br H4 N O6
• Title of publication: Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides
• Authors of publication: Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 36
• Pages of publication: 5983 - 5988
• a: 5.12 ± 0.003 Å
• b: 5.12 ± 0.003 Å
• c: 7.84 ± 0.07 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 178 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 12800000 ± 50000 kPa
• Ambient diffracton pressure: 12800000 ± 50000 kPa
• Number of distinct elements: 5
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.49585 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No