Information card for entry 2218446

Structure parameters

• Chemical name: Tetrakis(1,1,1-trifluoroacetylacetonato-κ^2^O,O')hafnium(IV) toluene disolvate
• Formula: C34 H32 F12 Hf O8
• Calculated formula: C34 H32 F12 Hf O8
• SMILES: C1=C(C)O[Hf]234([O]=C1C(F)(F)F)([O]=C(C)C=C(O2)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]3)C)[O]=C(C)C=C(O4)C(F)(F)F.Cc1ccccc1.Cc1ccccc1
• Title of publication: Tetrakis(1,1,1-trifluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')hafnium(IV) toluene disolvate
• Authors of publication: Viljoen, J. Augustinus; Muller, Alfred; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m838 - m839
• a: 22.4983 ± 0.0015 Å
• b: 8.0642 ± 0.0005 Å
• c: 22.712 ± 0.002 Å
• α: 90°
• β: 118.211 ± 0.002°
• γ: 90°
• Cell volume: 3631.2 ± 0.5 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 significantly intense reflections: 0.0185
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes