Information card for entry 2218484

Structure parameters

• Chemical name: Tetrakis(1,1,1-trifluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')zirconium(IV) toluene solvate
• Formula: C34 H32 F12 O8 Zr
• Calculated formula: C34 H32 F12 O8 Zr
• Title of publication: Tetrakis(1,1,1-trifluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')zirconium(IV) toluene solvate
• Authors of publication: Steyn, Maryke; Roodt, Andreas; Steyl, Gideon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m827
• a: 22.537 ± 0.005 Å
• b: 8.054 ± 0.005 Å
• c: 22.786 ± 0.005 Å
• α: 90°
• β: 118.383 ± 0.005°
• γ: 90°
• Cell volume: 3639 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes