Information card for entry 1560451

Structure parameters

• Formula: C30 H46 Ba4 O19 P4
• Calculated formula: C30 H46 Ba4 O19 P4
• Title of publication: Intercalation of alcohols into barium phenylphosphonate: Influence of the number and position of functional groups in the guests on their arrangement in the intercalates
• Authors of publication: Melánová, Klára; Beneš, Ludvík; Zima, Vítězslav; Svoboda, Jan; Růžička, Aleš
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 251
• Pages of publication: 211 - 216
• a: 21.928 ± 0.0018 Å
• b: 9.1121 ± 0.0007 Å
• c: 29.51 ± 0.002 Å
• α: 90°
• β: 131.273 ± 0.007°
• γ: 90°
• Cell volume: 4431.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No