Information card for entry 2220581

Structure parameters

• Chemical name: <i>trans</i>-Dimethanolbis(1,1,1-trifluoro-5,5-dimethylhexane- 2,4-dionato)zinc(II)
• Formula: C18 H28 F6 O6 Zn
• Calculated formula: C18 H28 F6 O6 Zn
• SMILES: C(C1=CC(=[O][Zn]2(O1)(OC(=CC(=[O]2)C(C)(C)C)C(F)(F)F)([OH]C)[OH]C)C(C)(C)C)(F)(F)F
• Title of publication: <i>trans</i>-Dimethanolbis(1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionato)zinc(II)
• Authors of publication: Hunter, Gerald O.; Zeller, Matthias; Leskiw, Brian D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m24
• a: 5.47 ± 0.002 Å
• b: 8.755 ± 0.003 Å
• c: 12.031 ± 0.004 Å
• α: 78.785 ± 0.005°
• β: 80.542 ± 0.005°
• γ: 88.083 ± 0.005°
• Cell volume: 557.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes