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Information card for entry 1508078
Preview
| Coordinates | 1508078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound1 |
|---|---|
| Chemical name | tris(di-η5-cyclopentadienyl-ruthenyl)samarium |
| Formula | C30 H30 Re3 Sm |
| Calculated formula | C30 H30 Re3 Sm |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Re]16782345([cH]2[cH]1[cH]6[cH]7[cH]82)[Sm]([Re]12345678([cH]9[cH]5[cH]4[cH]3[cH]29)[cH]2[cH]6[cH]7[cH]8[cH]12)[Re]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51 |
| Title of publication | Molecules containing rare-earth atoms solely bonded by transition metals. |
| Authors of publication | Butovskii, Mikhail V.; Döring, Christian; Bezugly, Viktor; Wagner, Frank R.; Grin, Yuri; Kempe, Rhett |
| Journal of publication | Nature chemistry |
| Year of publication | 2010 |
| Journal volume | 2 |
| Journal issue | 9 |
| Pages of publication | 741 - 744 |
| a | 41.437 ± 0.0012 Å |
| b | 41.437 ± 0.0012 Å |
| c | 7.633 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11350.2 ± 0.8 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210196 (current) | 2018-08-28 | cif/1/50/80/ Replacing the '?' symbol with the '\h' substring in the _chemical_name_systematic data item value in entries 1508078, 1508080, 1508081, 1508082. |
1508078.cif |
| 194547 | 2017-03-27 | cif/1 Fixing some wrong Z values and formulae |
1508078.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. |
1508078.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508078.cif |
| 62624 | 2012-07-09 | cif/ Adding structures of 1508078 via cif-deposit CGI script. |
1508078.cif |
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