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Information card for entry 7010464
Preview
| Coordinates | 7010464.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53.5 H57.5 N3.5 O14 U2 |
|---|---|
| Calculated formula | C54 H54 N3 O14 U2 |
| Title of publication | Uranyl ion complexation by medium and large homooxacalixarenes: from mono- to poly-uranate complexes |
| Authors of publication | Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 6 |
| Pages of publication | 867 |
| a | 11.281 ± 0.0004 Å |
| b | 25.6482 ± 0.0016 Å |
| c | 17.9607 ± 0.0011 Å |
| α | 90° |
| β | 98.454 ± 0.003° |
| γ | 90° |
| Cell volume | 5140.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0891 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 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. |
7010464.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" |
7010464.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010464.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010464.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7010464.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010464.cif |
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Users of the data should acknowledge the original authors of the
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