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Information card for entry 1512964
Preview
| Coordinates | 1512964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C245.2 H208 N8 O23.05 U3 |
|---|---|
| Calculated formula | C245.2 H208 N8 O23.05 U3 |
| SMILES | [U]123([N]([C@@H]([C@H]([N]1=Cc1cc(cc(c1O2)COc1ccc2ccc4cccc5c4c2c1cc5)C(C)(C)C)c1ccccc1)c1ccccc1)=Cc1cc(cc(c1O3)COc1ccc2c3c1ccc1cccc(c31)cc2)C(C)(C)C)(=O)(=O)Oc1c2c3c(cc1)ccc1cccc(c31)cc2.[U]123([OH][U]456([N]([C@H](c7ccccc7)[C@H]([N]4=Cc4c(O6)c(cc(c4)C(C)(C)C)COc4ccc6ccc7cccc8c7c6c4cc8)c4ccccc4)=Cc4cc(cc(c4O5)COc4ccc5ccc6cccc7c6c5c4cc7)C(C)(C)C)(=O)=O)([N](=Cc4cc(cc(c4O2)COc2ccc4ccc5cccc6c5c4c2cc6)C(C)(C)C)[C@@H]([C@H]([N]1=Cc1cc(cc(c1O3)COc1ccc2ccc3c4c2c1ccc4ccc3)C(C)(C)C)c1ccccc1)c1ccccc1)(=O)=O.[N+](C)(C)(C)C.C[N+](C)(C)C.Cc1ccccc1.Cc1ccccc1.OCC.O.O |
| Title of publication | Mono- and dinuclear uranyl(VI) complexes with chiral Schiff base ligand |
| Authors of publication | Giovanna Brancatelli; Andrea Pappalardo; Giuseppe Trusso Sfrazzetto; Anna Notti; Silvano Geremia |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 396 |
| Pages of publication | 25 - 29 |
| a | 19.628 ± 0.001 Å |
| b | 30.001 ± 0.002 Å |
| c | 37.205 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 21908.5 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0732 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512964.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512964.cif |
| 91296 | 2013-12-11 | cif/ Adding structures of 1512964 via cif-deposit CGI script. |
1512964.cif |
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