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Information card for entry 4071738
Preview
| Coordinates | 4071738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H90 B N3 O2 P4 S2 U |
|---|---|
| Calculated formula | C84 H90 B N3 O2 P4 S2 U |
| SMILES | [U]123456789(SP(=C%10[P]2(C(P(=[S]1)(c1ccccc1)c1ccccc1)=C(C=C%10c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)([O]=P(N(C)C)(N(C)C)N(C)C)[CH]1=[CH]3[CH]4=[CH]5[CH]6=[CH]7[CH]8=[CH]91.O(CC)CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 12.9649 ± 0.0003 Å |
| b | 15.8235 ± 0.0004 Å |
| c | 19.9331 ± 0.0004 Å |
| α | 94.93 ± 0.002° |
| β | 104.712 ± 0.003° |
| γ | 93.076 ± 0.002° |
| Cell volume | 3928.47 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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. |
4071738.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071738.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071738.cif |
| 44006 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071736, 4071737, 4071738, 4071739, 4071740, 4071741 via cif-deposit CGI script. |
4071738.cif |
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Users of the data should acknowledge the original authors of the
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