Information card for entry 1512915

Structure parameters

• Common name: (1) Mg(TFA)2(py)4
• Formula: C24 H20 F6 Mg N4 O4
• Calculated formula: C24 H20 F6 Mg N4 O4
• SMILES: [Mg](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• 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: 9.085 ± 0.003 Å
• b: 16.764 ± 0.005 Å
• c: 18.141 ± 0.006 Å
• α: 70.307 ± 0.005°
• β: 85.569 ± 0.006°
• γ: 89.84 ± 0.005°
• Cell volume: 2592.7 ± 1.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1486
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2807
• Weighted residual factors for all reflections included in the refinement: 0.3055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No