Information card for entry 2014930

Structure parameters

• Common name: barium chlorite hydrate
• Chemical name: Barium chlorite hydrate
• Formula: Ba Cl2 H7 O7.5
• Calculated formula: Ba Cl2 H7 O7.5
• SMILES: [Ba+2].O=[Cl][O-].O=[Cl][O-].O.O.O.O
• Title of publication: Barium chlorite hydrate, Ba(ClO~2~)~2~·3.5H~2~O
• Authors of publication: Smolentsev, Anton I.; Naumov, Dmitry Yu.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: i49 - i50
• a: 18.4801 ± 0.0005 Å
• b: 13.5715 ± 0.0004 Å
• c: 6.6904 ± 0.0002 Å
• α: 90°
• β: 108.364 ± 0.001°
• γ: 90°
• Cell volume: 1592.52 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.051
• 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