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Information card for entry 4030871
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| Coordinates | 4030871.cif |
|---|
| Formula | C20 H16 Cu N2 O3 |
|---|---|
| Calculated formula | C20 Cu N2 O3 |
| SMILES | [Cu]123[N](=Cc4c(O2)cccc4)c2ccccc2[N]3=Cc2ccccc2O1.O |
| Title of publication | Molecular structures of two cu5II) complexes with tetradentate imine-phenols |
| Authors of publication | Yao, H. H.; Huang, W. T.; Lo, J. M.; Liao, F. L.; Wang, S. L. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1997 |
| Journal volume | 34 |
| Pages of publication | 355 - 366 |
| a | 31.6778 ± 0.0002 Å |
| b | 31.6778 ± 0.0002 Å |
| c | 9.0834 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7893.85 ± 0.19 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.0543 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.47 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178487 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/08. |
4030871.cif |
| 134416 | 2015-03-26 | cif/ Adding structures of 4030871 via cif-deposit CGI script. |
4030871.cif |
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Users of the data should acknowledge the original authors of the
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