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Information card for entry 4103686
Preview
| Coordinates | 4103686.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87.27 H99.27 N8.65 Na2 O16 U |
|---|---|
| Calculated formula | C87.26 H99.26 N8.652 Na2 O16 U |
| SMILES | c12ccccc1[C@@H]1N3c4ccccc4[N]4=Cc5ccccc5O[U]56734(O2)N([C@H]1c1c(cccc1)O6)c1ccccc1[N]5=Cc1ccccc1O7.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Na]23456([n]1ccccc1)[n]1ccccc1.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Na]23456([n]1ccccc1)[n]1ccccc1.n1ccccc1.c12ccccc1[C@H]1N3c4ccccc4[N]4=Cc5ccccc5O[U]56734(O2)N([C@@H]1c1c(cccc1)O6)c1ccccc1[N]5=Cc1ccccc1O7.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Na]23456([n]1ccccc1)[n]1ccccc1.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Na]23456([n]1ccccc1)[n]1ccccc1.n1ccccc1 |
| Title of publication | Multielectron Redox Reactions Involving C-C Coupling and Cleavage in Uranium Schiff Base Complexes |
| Authors of publication | Clément Camp; Victor Mougel; Pawel Horeglad; Jacques Pécaut; Marinella Mazzanti |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 17374 - 17377 |
| a | 14.019 ± 0.003 Å |
| b | 45.018 ± 0.009 Å |
| c | 14.96 ± 0.003 Å |
| α | 90° |
| β | 116.62 ± 0.03° |
| γ | 90° |
| Cell volume | 8441 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1213 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178782 (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 4/10/36. |
4103686.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103686.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103686.cif |
| 26719 | 2011-09-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4103686 via cif-deposit CGI script. |
4103686.cif |
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Users of the data should acknowledge the original authors of the
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