Information card for entry 7250723

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: 5.2685 ± 0.0003 Å
• b: 5.2685 ± 0.0003 Å
• c: 9.02 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 216.83 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Cell measurement pressure: 560000 ± 50000 kPa
• Ambient diffracton pressure: 560000 ± 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: 0.0212
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.49585 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No