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Information card for entry 7008799
Preview
| Coordinates | 7008799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H76 Li2 O8 Si8 Tl2 |
|---|---|
| Calculated formula | C28 H76 Li2 O8 Si8 Tl2 |
| SMILES | [Tl]1[C@@H]([Si]2([O]3([Li]45([O]([Si]([O]4C)([C@@H]1[Si](C)(C)C)C)C)[O]1([Li]43([O]2C)[O]([Si]([O]4C)([C@H]([Tl][C@H]([Si]1([O]5C)C)[Si](C)(C)C)[Si](C)(C)C)C)C)C)C)C)[Si](C)(C)C |
| Title of publication | The coordination chemistry of the C1-symmetric bis(silyl)methyl ligand [CH(SiMe3){SiMe(OMe)2}]- revisited: Li/M- (M = Zn, Tl, Ce), Li4- or Ce2-methoxy-bridged alkyls. |
| Authors of publication | Hitchcock, Peter B.; Huang, Qigu; Lappert, Michael F.; Zhou, Meisu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 18 |
| Pages of publication | 2988 - 2993 |
| a | 10.0468 ± 0.0005 Å |
| b | 10.1659 ± 0.0004 Å |
| c | 12.8293 ± 0.0005 Å |
| α | 95.078 ± 0.003° |
| β | 91.045 ± 0.002° |
| γ | 103.642 ± 0.002° |
| Cell volume | 1267.32 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0439 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7008799.cif |
| 179791 | 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 7/00/87. |
7008799.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008799.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008799.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008799.cif |
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Users of the data should acknowledge the original authors of the
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