Information card for entry 2005715

Structure parameters

• Chemical name: (N,N,N',N'-tetramethylethylenediamine)-1,1,3,3-tetrakis(trifluoromethyl) -2-oxo-propanediolato copper(II)
• Formula: C15 H19 Cu F12 N2 O3
• Calculated formula: C15 H19 Cu F12 N2 O3
• SMILES: c1ccccc1.C1(C(F)(F)F)(C(F)(F)F)O[Cu]2([N](CC[N]2(C)C)(C)C)OC(C(F)(F)F)(C(F)(F)F)O1
• Title of publication: [2,2'-Oxybis(1,1,1,3,3,3-hexafluoro-2-propanolato-<i>O</i>)](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')copper(II) Hemibenzene Solvate
• Authors of publication: George, C.; Purdy, A. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 2987 - 2989
• a: 10.02 ± 0.003 Å
• b: 15.493 ± 0.004 Å
• c: 13.851 ± 0.005 Å
• α: 90°
• β: 93.81 ± 0.03°
• γ: 90°
• Cell volume: 2145.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 243 K
• Number of distinct elements: 6
• 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: 0.104
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.125
• Weighted residual factors for significantly intense reflections: 0.1017
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No