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Information card for entry 4071740
Preview
| Coordinates | 4071740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H42 O2 P2 S4 U2 |
|---|---|
| Calculated formula | C42 H42 O2 P2 S4 U2 |
| SMILES | P1(c2ccccc2)(c2ccccc2)=[S][U]23456789(S1)([CH]1=[CH]4[CH]5=[CH]6[CH]3=[CH]7[CH]8=[CH]19)[O]([U]13456789([O]2C)([CH]2=[CH]4[CH]5=[CH]6[CH]3=[CH]7[CH]8=[CH]29)[S]=P(c2ccccc2)(c2ccccc2)S1)C |
| Title of publication | Organouranium Complexes with Phosphinine-Based SPS Pincer Ligands. Variations with the Substituent at the Phosphorus Atom |
| Authors of publication | Arliguie, Thérèse; Blug, Matthias; Le Floch, Pascal; Mézailles, Nicolas; Thuéry, Pierre; Ephritikhine, Michel |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 16 |
| Pages of publication | 4158 |
| a | 12.8051 ± 0.001 Å |
| b | 9.1321 ± 0.0007 Å |
| c | 17.4375 ± 0.0016 Å |
| α | 90° |
| β | 96.989 ± 0.006° |
| γ | 90° |
| Cell volume | 2023.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0666 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (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 4/07/17. |
4071740.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071740.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071740.cif |
| 44006 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071736, 4071737, 4071738, 4071739, 4071740, 4071741 via cif-deposit CGI script. |
4071740.cif |
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Users of the data should acknowledge the original authors of the
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