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Information card for entry 2020914
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| Coordinates | 2020914.cif |
|---|---|
| Structure factors | 2020914.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205311 (current) | 2018-01-17 | cif/ hkl/ Adding structures of 2020913, 2020914, 2020915 via cif-deposit CGI script. |
2020914.cif 2020914.hkl |
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Users of the data should acknowledge the original authors of the
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