Information card for entry 2016237

Structure parameters

• Chemical name: triaquahemiaquadi-μ~5~-acetato-tri-μ~4~-acetato-tri-μ~3~-acetato-tri-μ~2~- acetato-μ~2~-acetato-hexabarium(II)
• Formula: C24 H43 Ba6 O27.5
• Calculated formula: C24 H43 Ba6 O27.5
• Title of publication: [Ba~6~(C~2~H~3~O~2~)~12~(H~2~O)~3.5~], a new hydrate of barium acetate
• Authors of publication: Gabriela Leyva; Griselda Polla; María Teresa Garland; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m534 - m536
• a: 14.04 ± 0.003 Å
• b: 19.903 ± 0.004 Å
• c: 17.721 ± 0.004 Å
• α: 90°
• β: 113.19 ± 0.03°
• γ: 90°
• Cell volume: 4552 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes