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Information card for entry 7006224
Preview
| Coordinates | 7006224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tetrahydrofurane-1,4-dithiabutanediyl-bis(6-tert-butyl-4- methylphenolato)-trimethylsilylmethyl-lutetium(iii) |
|---|---|
| Chemical name | Tetrahydrofurane-1,4-dithiabutanediyl-bis(6-tert-butyl-4-methylphenolato)- trimethylsilylmethyl-lutetium(III) |
| Formula | C32 H51 Lu O3 S2 Si |
| Calculated formula | C32 H51 Lu O3 S2 Si |
| SMILES | [Si](C[Lu]123([S](c4c(O2)c(cc(c4)C)C(C)(C)C)CC[S]1c1c(O3)c(cc(c1)C)C(C)(C)C)[O]1CCCC1)(C)(C)C |
| 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 | 8.7517 ± 0.0017 Å |
| b | 12.703 ± 0.002 Å |
| c | 16.986 ± 0.003 Å |
| α | 75.023 ± 0.004° |
| β | 82.049 ± 0.005° |
| γ | 75.436 ± 0.004° |
| Cell volume | 1760.2 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179766 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/62. |
7006224.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006224.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006224.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006224.cif |
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