Information card for entry 4322741

Structure parameters

• Formula: C12 H16 Ba F6 O8
• Calculated formula: C12 H16 Ba F6 O8
• Title of publication: Synthesis, Characterization, and Thermal Behavior of Polydentate Ligand Adducts of Barium Trifluoroacetate
• Authors of publication: William A. Wojtczak; Mark J. Hampden-Smith; Eileen N. Duesler
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1781 - 1790
• a: 11.014 ± 0.001 Å
• b: 12.016 ± 0.001 Å
• c: 15.269 ± 0.001 Å
• α: 90°
• β: 104.47 ± 0.01°
• γ: 90°
• Cell volume: 1956.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.0609
• Goodness-of-fit parameter for significantly intense reflections: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No