Information card for entry 1512916

Structure parameters

• Common name: (2) [Ca2(u-TFA)3(THF)4](u-TFA)
• Formula: C24 H32 Ca2 F12 O12
• Calculated formula: C24 H32 Ca2 F12 O12
• 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: 10.0952 ± 0.0006 Å
• b: 20.8523 ± 0.0013 Å
• c: 17.1268 ± 0.0011 Å
• α: 90°
• β: 90.58 ± 0.001°
• γ: 90°
• Cell volume: 3605.1 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 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: 0.1123
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2522
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No