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Information card for entry 7007181
Preview
| Coordinates | 7007181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H78 Cl2 N4 O4 U |
|---|---|
| Calculated formula | C67 H73 Cl2 N3 O4 U |
| Title of publication | Synthesis, crystal structure and reactivity of uranium(IV) complexes with p-tert-butylcalix[4]arene ligands. |
| Authors of publication | Salmon, Lionel; Thuéry, Pierre; Asfari, Zouhair; Ephritikhine, Michel |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 24 |
| Pages of publication | 3006 - 3014 |
| a | 13.9922 ± 0.0003 Å |
| b | 14.1147 ± 0.0003 Å |
| c | 18.5727 ± 0.0004 Å |
| α | 98.4167 ± 0.0007° |
| β | 98.0981 ± 0.0007° |
| γ | 119.189 ± 0.0008° |
| Cell volume | 3070.59 ± 0.12 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 | 0.0476 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179775 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/71. |
7007181.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" |
7007181.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007181.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007181.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7007181.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007181.cif |
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Users of the data should acknowledge the original authors of the
structural data.