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Information card for entry 7006226
Preview
| Coordinates | 7006226.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tris(tetrahydrofurane)-thiobis(6-tert-butyl-4- methylphenolato)-diphenylmethoxy-lutetium(iii) |
|---|---|
| Chemical name | Tris(tetrahydrofurane)-thiobis(6-tert-butyl-4-methylphenolato)- diphenylmethoxy-lutetium(III) |
| Formula | C47 H63 Lu O6 S |
| Calculated formula | C47 H63 Lu O6 S |
| SMILES | [Lu]12([S](c3c(O1)c(C(C)(C)C)cc(C)c3)c1c(O2)c(C(C)(C)C)cc(C)c1)(OC(c1ccccc1)c1ccccc1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Lutetium alkyl and hydride complexes in a non-cyclopentadienyl coordination environment. |
| Authors of publication | Konkol, Marcin; Spaniol, Thomas P.; Kondracka, Małgorzata; Okuda, Jun |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 36 |
| Pages of publication | 4095 - 4102 |
| a | 14.71 ± 0.003 Å |
| b | 13.582 ± 0.003 Å |
| c | 22.91 ± 0.004 Å |
| α | 90° |
| β | 108.29 ± 0.004° |
| γ | 90° |
| Cell volume | 4346 ± 1.5 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7006226.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006226.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006226.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006226.cif |
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