Information card for entry 2243306

Structure parameters

• Chemical name: Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]
• Formula: C44.836 H83.674 Ba7 O33.892
• Calculated formula: C44.838 H79.892 Ba7 O33.892
• Title of publication: Poly[[tetradecakis(μ-propionato)heptabarium] propionic acid monosolvate tetrahydrate]
• Authors of publication: Samolová, Erika; Fábry, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• Pages of publication: 264 - 269
• a: 15.7831 ± 0.0002 Å
• b: 14.0136 ± 0.0002 Å
• c: 30.5583 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6758.83 ± 0.15 ų
• Cell temperature: 94.98 K
• Ambient diffraction temperature: 94.98 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.92
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 2243265
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes