Information card for entry 4318157

Structure parameters

• Common name: Cr(hfacac)3
• Formula: C15 H3 Cr F18 O6
• Calculated formula: C15 H3 Cr F18 O6
• SMILES: [Cr]123([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Carbon Dioxide as a Solubility "Switch" for the Reversible Dissolution of Highly Fluorinated Complexes and Reagents in Organic Solvents: Application to Crystallization
• Authors of publication: Philip G. Jessop; Marilyn M. Olmstead; Christopher D. Ablan; Megan Grabenauer; Daniel Sheppard; Charles A. Eckert; Charles L. Liotta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3463 - 3468
• a: 8.7318 ± 0.0012 Å
• b: 12.9417 ± 0.0017 Å
• c: 19.074 ± 0.003 Å
• α: 90°
• β: 92.067 ± 0.003°
• γ: 90°
• Cell volume: 2154 ± 0.5 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 5
• 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: 0.0412
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No