Information card for entry 2020913

Structure parameters

• Chemical name: (Pyridin-2-one-κ<i>O</i>)bis(4,4,4-trifluoro-3-oxo-1-phenylbutan-1-olato-κ^2^<i>O</i>,<i>O</i>')copper(II)
• Formula: C25 H17 Cu F6 N O5
• Calculated formula: C25 H17 Cu F6 N O5
• SMILES: [Cu]12(OC(=CC(=[O]1)c1ccccc1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)c1ccccc1)[O]=c1[nH]cccc1
• Title of publication: Copper(II) bis(4,4,4-trifluoro-1-phenylbutane-1,3-dionate) complexes with pyridin-2-one, 3-hydroxypyridine and 3-hydroxypyridin-2-one ligands: molecular structures and hydrogen-bonded networks
• Authors of publication: Perdih, Franc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 960 - 967
• a: 10.5928 ± 0.0005 Å
• b: 10.7082 ± 0.0005 Å
• c: 12.4943 ± 0.0006 Å
• α: 69.019 ± 0.004°
• β: 71.705 ± 0.004°
• γ: 88.11 ± 0.003°
• Cell volume: 1251.32 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes