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Information card for entry 1508082
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| Coordinates | 1508082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | compound4 |
|---|---|
| Chemical name | bis[(di-η5-cyclopentadienyl-ruthenyl)(η5-cyclopentadienyl-η5-μ3-cyclopentadiendiyl-ruthenyl)(tetrahydrofuran)lanthanum] |
| Formula | C55 H62 La2 O2 Re4 |
| Calculated formula | C55 H62 La2 O2 Re4 |
| SMILES | [C]123([CH]4=[CH]5[CH]6=[CH]1[Re]17893456[cH]3[cH]1[cH]7[cH]8[cH]93)[La]([C]13([CH]4=[CH]5[CH]6=[CH]1[Re]17893456[cH]3[cH]9[cH]8[cH]7[cH]13)[La]2[O]1CCCC1)[O]1CCCC1.[cH]12[cH]3[cH]4[cH]5[cH]1[Re]16782345[cH]2[cH]8[cH]7[cH]6[cH]12.[cH]12[cH]3[cH]4[cH]5[cH]1[Re]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.c1(C)ccccc1 |
| 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 | 12.242 ± 0.0006 Å |
| b | 21.612 ± 0.0011 Å |
| c | 17.762 ± 0.0009 Å |
| α | 90° |
| β | 94.794 ± 0.004° |
| γ | 90° |
| Cell volume | 4682.9 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.078 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1508082.cif |
| 194608 | 2017-03-30 | cif/1/50/80/ (antanas@kurmis) Replacing the "µ" substring with the "\m" substring in the _chemical_name_systematic data item value in entry 1508082. |
1508082.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. |
1508082.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508082.cif |
| 62628 | 2012-07-09 | cif/ Adding structures of 1508082 via cif-deposit CGI script. |
1508082.cif |
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Users of the data should acknowledge the original authors of the
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