Information card for entry 2011405

Structure parameters

• Common name: Barium hydroxyde iodide tetra-hydrate
• Chemical name: Tetraaquabarium hydroxide iodide
• Formula: Ba H9 I O5
• Calculated formula: Ba H9 I O5
• SMILES: [Ba](I)(O)[OH2].O.O.O
• Title of publication: On the way to sol‒gels: an analysis of the intra- and intermolecular hydrogen bonding in [Ba(OH)I(H~2~O)~4~]
• Authors of publication: Fromm, Katharina M.; Goesmann, Helmut
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1179 - 1180
• a: 6.2757 ± 0.0013 Å
• b: 8.026 ± 0.002 Å
• c: 8.09 ± 0.002 Å
• α: 90.37 ± 0.03°
• β: 107.03 ± 0.03°
• γ: 90.86 ± 0.03°
• Cell volume: 389.55 ± 0.17 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.017
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections: 1.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No