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Information card for entry 4070560
Preview
Coordinates | 4070560.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H67 K N3 O8 S6 U |
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Calculated formula | C51 H67 K N3 O8 S6 U |
Title of publication | Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds |
Authors of publication | Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 1 |
Pages of publication | 33 |
a | 11.5158 ± 0.0005 Å |
b | 12.3498 ± 0.0007 Å |
c | 21.6525 ± 0.0012 Å |
α | 90.184 ± 0.003° |
β | 93.485 ± 0.003° |
γ | 114.484 ± 0.003° |
Cell volume | 2795.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.0978 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178594 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05. |
4070560.cif |
120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070560.cif |
47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070560.cif |
42559 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070558, 4070559, 4070560, 4070561, 4070562, 4070563 via cif-deposit CGI script. |
4070560.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.