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Information card for entry 1507933
Preview
| Coordinates | 1507933.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C83 H100 I4 N4 P4 Si4 U2 |
|---|---|
| Calculated formula | C62 H76 I4 N4 P4 Si4 U2 |
| SMILES | [U]123(I)([N]([Si](C)(C)C)=P(C1=P(N3[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[I][U]13(I)([I]2)[N]([Si](C)(C)C)=P(C1=P(N3[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | A delocalized arene-bridged diuranium single-molecule magnet. |
| Authors of publication | Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
| Journal of publication | Nature chemistry |
| Year of publication | 2011 |
| Journal volume | 3 |
| Journal issue | 6 |
| Pages of publication | 454 - 460 |
| a | 35.693 ± 0.007 Å |
| b | 12.776 ± 0.002 Å |
| c | 21.448 ± 0.004 Å |
| α | 90° |
| β | 121.351 ± 0.003° |
| γ | 90° |
| Cell volume | 8353 ± 3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.1121 |
| Residual factor for significantly intense reflections | 0.0915 |
| Weighted residual factors for significantly intense reflections | 0.2588 |
| Weighted residual factors for all reflections included in the refinement | 0.2702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1507933.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507933.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507933.cif |
| 62479 | 2012-07-09 | cif/ Adding structures of 1507933 via cif-deposit CGI script. |
1507933.cif |
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Users of the data should acknowledge the original authors of the
structural data.