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Information card for entry 7014275
Preview
| Coordinates | 7014275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C268 H222 Cl10 N36 O32 U8 |
|---|---|
| Calculated formula | C268 H212 Cl10 N36 O32 U8 |
| SMILES | c1ccccn1.c1cccnc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.[U]123456([N]7=Cc8c9[O]3[U]3%10(Oc%11c([O]23)c(ccc%11)C=[N]4Cc2c7cccc2)([O]1c1c(c(C=NCc2ccccc2N=Cc2c3O[U]47%11%12(Oc3ccc2)([N]2=Cc3c%13c(ccc3)O[U]3%14([O]7c7c(c(ccc7)C=NCc7ccccc7N=Cc7c(O5)c(O6)ccc7)O3)([O]%11%13)([O]%12c3c(C=[N]4c4c(C2)cccc4)cccc3O%14)(Cl)Cl)Cl)ccc1)O%10)(Oc9ccc8)(Cl)Cl)Cl.[U]123456([O]7[U]89%10(Oc%11c7c(ccc%11)C=[N]4Cc4ccccc4[N]5=Cc4c([O]18)c(O9)ccc4)(Cl)[O]6c1c(c(ccc1)C=NCc1ccccc1N=Cc1c4O[U]5678([O]9c%11c(c(ccc%11)C=NCc%11ccccc%11N=Cc%11c(O2)c(O3)ccc%11)O[U]23%119(Oc9c(c(ccc9)C=[N]5Cc5ccccc5[N]6=Cc5c([O]83)c(O%11)ccc5)[O]72)Cl)(Oc4ccc1)Cl)O%10)Cl.c1ccccn1.c1ccccn1.c1ccccn1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1.c1ccccn1 |
| Title of publication | Synthesis and crystal structure of tetra- and hexanuclear uranium(IV) complexes with hexadentate compartmental Schiff-base ligands. |
| Authors of publication | Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 24 |
| Pages of publication | 4139 - 4145 |
| a | 16.244 ± 0.002 Å |
| b | 17.3019 ± 0.0018 Å |
| c | 23.439 ± 0.002 Å |
| α | 80.542 ± 0.005° |
| β | 79.928 ± 0.005° |
| γ | 72.362 ± 0.005° |
| Cell volume | 6137.5 ± 1.1 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 | 0.2282 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179846 (current) | 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 7/01/42. |
7014275.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" |
7014275.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014275.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014275.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7014275.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7014275.cif |
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Users of the data should acknowledge the original authors of the
structural data.