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Information card for entry 4310053
Preview
| Coordinates | 4310053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C19 H18 N3 O2 |
|---|---|
| Calculated formula | C19 H19 N3 O2 |
| SMILES | O=C1N(N=C(/C1=C(O)\c1ccc(N(C)C)cc1)C)c1ccccc1 |
| Title of publication | Tuning the Triplet Energy Levels of Pyrazolone Ligands to Match the 5D0 Level of Europium(III) |
| Authors of publication | Mei Shi; Fuyou Li; Tao Yi; Dengqing Zhang; Huaiming Hu; Chunhui Huang |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8929 - 8936 |
| a | 7.625 ± 0.002 Å |
| b | 17.919 ± 0.006 Å |
| c | 12.219 ± 0.004 Å |
| α | 90° |
| β | 106.286 ± 0.004° |
| γ | 90° |
| Cell volume | 1602.5 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0884 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1676 |
| Weighted residual factors for all reflections included in the refinement | 0.1863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4310053.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4310053.cif |
| 179139 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/00. |
4310053.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310053.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310053.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4310053.cif |
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Users of the data should acknowledge the original authors of the
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