Information card for entry 2020914

Structure parameters

• Chemical name: Bis(pyridin-3-ol-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: C30 H22 Cu F6 N2 O6
• Calculated formula: C30 H22 Cu F6 N2 O6
• 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: 10.0085 ± 0.0003 Å
• b: 14.154 ± 0.0005 Å
• c: 11.2503 ± 0.0003 Å
• α: 90°
• β: 110.022 ± 0.004°
• γ: 90°
• Cell volume: 1497.4 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes