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Information card for entry 4064270
Preview
| Coordinates | 4064270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H45 N P4 S5 U |
|---|---|
| Calculated formula | C55 H45 N P4 S5 U |
| SMILES | [U]12345([S]=P(C=4P(=[S]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([S]=P([C]5(=[S]3)P(=[S]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1 |
| Title of publication | Uranium(IV) Nucleophilic Carbene Complexes |
| Authors of publication | Tourneux, Jean-Christophe; Berthet, Jean-Claude; Cantat, Thibault; Thuéry, Pierre; Mézailles, Nicolas; Le Floch, Pascal; Ephritikhine, Michel |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 11 |
| Pages of publication | 2957 |
| a | 38.644 ± 0.003 Å |
| b | 13.7549 ± 0.0008 Å |
| c | 20.2815 ± 0.0009 Å |
| α | 90° |
| β | 113.383 ± 0.003° |
| γ | 90° |
| Cell volume | 9895.1 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0804 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178536 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/42. |
4064270.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064270.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064270.cif |
| 32836 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064268, 4064269, 4064270, 4064271, 4064272, 4064273, 4064274, 4064275 via cif-deposit CGI script. |
4064270.cif |
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