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Information card for entry 4103801
Preview
| Coordinates | 4103801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C83 H80 Li2 O2 P6 S6 U |
|---|---|
| Calculated formula | C83 H80 Li2 O2 P6 S6 U |
| SMILES | [U]123456(C(=P(c7ccccc7)(c7ccccc7)[S]1[Li]18[O](CC)CC)P(=[S]29)(c2ccccc2)c2ccccc2)(C(=P([S]4[Li]29[O](CC)CC)(c4ccccc4)c4ccccc4)P(=[S]51)(c1ccccc1)c1ccccc1)C(=P(c1ccccc1)(c1ccccc1)[S]38)P(=[S]62)(c1ccccc1)c1ccccc1 |
| Title of publication | The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes |
| Authors of publication | Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 963 - 972 |
| a | 16.2135 ± 0.0003 Å |
| b | 22.3247 ± 0.0004 Å |
| c | 21.3662 ± 0.0006 Å |
| α | 90° |
| β | 91.524 ± 0.001° |
| γ | 90° |
| Cell volume | 7731 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.033 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0618 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178784 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/38. |
4103801.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103801.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103801.cif |
| 28276 | 2011-10-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103801 via cif-deposit CGI script. |
4103801.cif |
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Users of the data should acknowledge the original authors of the
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