Information card for entry 7114343

Structure parameters

• Formula: C51 H30 F21 O8 P2 Tm
• Calculated formula: C51 H30 F21 O8 P2 Tm
• SMILES: [Tm]123(OC(=C(F)C(=[O]1)C(F)(F)F)C(F)(F)F)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=C(F)C(=[O]2)C(F)(F)F)C(F)(F)F)OC(=C(F)C(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: The first perfluoroacetylacetonate metal complexes: as unexpectedly robust as tricky to makeElectronic supplementary information (ESI) available: details of the preparation of the complexes, analytical, NMR spectroscopical, and crystallographic data. See: http://www.rsc.org/suppdata/cc/b1/b111249j/
• Authors of publication: Petrov, Viacheslav A.; Marshall, William J.; Grushin, Vladimir V.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 520
• a: 17.2223 ± 0.001 Å
• b: 15.698 ± 0.001 Å
• c: 20.3127 ± 0.001 Å
• α: 90 ± 0.01°
• β: 92.883 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 5484.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0947
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No