Information card for entry 4322760

Structure parameters

• Formula: C16 H Ba F6 N24 O10
• Calculated formula: C21 H29 Ba F6 N O10
• 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: 27.178 ± 0.003 Å
• b: 11.417 ± 0.001 Å
• c: 9.133 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2833.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.0659
• Goodness-of-fit parameter for significantly intense reflections: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No