Information card for entry 2215790

Structure parameters

• Chemical name: <i>trans</i>-Dimethanolbis(1,1,1-trifluoro-5,5-dimethylhexane-2,4-\ dionato)cobalt(II)
• Formula: C18 H28 Co F6 O6
• Calculated formula: C18 H28 Co F6 O6
• SMILES: C(C1=CC(=[O][Co]2(O1)([OH]C)(OC(=CC(=[O]2)C(C)(C)C)C(F)(F)F)[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)cobalt(II)
• Authors of publication: Lerach, Jordan O.; Zeller, Matthias; Leskiw, Brian D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2639
• a: 5.439 ± 0.0007 Å
• b: 8.7181 ± 0.0011 Å
• c: 12.0169 ± 0.0015 Å
• α: 78.835 ± 0.002°
• β: 80.571 ± 0.002°
• γ: 87.946 ± 0.002°
• Cell volume: 551.47 ± 0.12 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: 0.0479
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes