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Information card for entry 4103798
Preview
| Coordinates | 4103798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H104 Li2 O2 P6 S6 U |
|---|---|
| Calculated formula | C104 H104 Li2 O2 P6 S6 U |
| SMILES | S1[Li]2([S]=P(C([U]34)=P(S[Li]([S]=P(C3=P1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([S]=P(C4=P(S2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O](CC)CC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O](CC)CC.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C |
| 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 | 29.658 ± 0.002 Å |
| b | 21.8217 ± 0.0011 Å |
| c | 29.9635 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 19392 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.129 |
| Residual factor for significantly intense reflections | 0.0889 |
| Weighted residual factors for significantly intense reflections | 0.2145 |
| Weighted residual factors for all reflections included in the refinement | 0.2266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178783 (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 4/10/37. |
4103798.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103798.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103798.cif |
| 28273 | 2011-10-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103798 via cif-deposit CGI script. |
4103798.cif |
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Users of the data should acknowledge the original authors of the
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