Information card for entry 1550494

Structure parameters

• Chemical name: Barium hexahydrogen <i>cyclo</i>-tetradecaoxidotetraarsenate(V)
• Formula: As4 Ba H6 O14
• Calculated formula: As4 Ba H6 O14
• SMILES: [Ba+2].[As]123(O)(O[As](O)(O)(O2)(O[As](=O)(O)O3)O[As](=O)(O1)O)O
• Title of publication: The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms
• Authors of publication: Weil, Matthias
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• a: 8.4638 ± 0.0005 Å
• b: 11.1799 ± 0.0007 Å
• c: 5.8353 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 552.16 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 53
• Hermann-Mauguin space group symbol: P m a n
• Hall space group symbol: -P 2ab 2
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes