Information card for entry 1512918

Structure parameters

• Common name: (4)Ba(TFA)2(H-TFA)py
• Formula: C16 H11 Ba F9 N2 O6
• Calculated formula: C16 H11 Ba F9 N2 O6
• Title of publication: Synthesis and characterization of solvated trifluoroacetate alkaline earth derivatives
• Authors of publication: Timothy J. Boyle; Pratt, III, Harry D.; Todd M. Alam; Mark A. Rodriguez; Paul G. Clem
• Journal of publication: Polyhedron
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 5095 - 5103
• a: 13.177 ± 0.003 Å
• b: 19.169 ± 0.004 Å
• c: 8.5978 ± 0.0017 Å
• α: 90°
• β: 102.418 ± 0.003°
• γ: 90°
• Cell volume: 2120.9 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No