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Information card for entry 7012937
Preview
| Coordinates | 7012937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H48 Cl4 N4 O2 U |
|---|---|
| Calculated formula | C43 H48 Cl4 N4 O2 U |
| SMILES | [U]1(Cl)(Cl)(Cl)(Cl)Oc2c(cc(cc2Cc2c(O1)c(cc(c2)C(C)(C)C)C[n+]1ccccc1)C(C)(C)C)C[n+]1ccccc1.n1ccccc1.n1ccccc1 |
| Title of publication | Complexes of uranium(IV) with acyclic polyphenoxides resulting from cleavage of homooxacalixarenes |
| Authors of publication | Lionel Salmon; Pierre Thuéry; Michel Ephritikhine; Bernardo Masci |
| Journal of publication | Dalton Trans. |
| Year of publication | 2003 |
| Journal issue | 12 |
| Pages of publication | 2405 - 2410 |
| a | 11.9036 ± 0.0008 Å |
| b | 12.0479 ± 0.0006 Å |
| c | 16.0063 ± 0.0012 Å |
| α | 106.175 ± 0.004° |
| β | 97.611 ± 0.003° |
| γ | 92.191 ± 0.004° |
| Cell volume | 2178.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.0999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012937.cif |
| 179833 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/29. |
7012937.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" |
7012937.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012937.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012937.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7012937.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012937.cif |
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