Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7010990
Preview
| Coordinates | 7010990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 F18 N3 O7 Yb |
|---|---|
| Calculated formula | C27 H19 F18 N3 O7 Yb |
| SMILES | [Yb]1234(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)[N]1=C([N](=O)C(C1(C)C)(C)C)c1[n]4cccc1 |
| Title of publication | Synthesis, spectroscopic and magnetic properties of lanthanide(III) complexes with a chelated imino nitroxide radical |
| Authors of publication | Toshiaki Tsukuda; Takayoshi Suzuki; Sumio Kaizaki |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 8 |
| Pages of publication | 1721 - 1726 |
| a | 12.052 ± 0.004 Å |
| b | 31.568 ± 0.006 Å |
| c | 9.546 ± 0.005 Å |
| α | 90° |
| β | 98.37 ± 0.03° |
| γ | 90° |
| Cell volume | 3593 ± 2 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1323 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7010990.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7010990.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010990.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010990.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010990.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.