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Information card for entry 7026056
Preview
| Coordinates | 7026056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Mesityllithium |
|---|---|
| Chemical name | Mesityllithium |
| Formula | C18 H22 Li2 |
| Calculated formula | C18 H22 Li2 |
| SMILES | C1(C)=CC(C)=[C]2(C(=C1)C)[Li][C]1(=C(C)C=C(C)C=C1C)[Li]2 |
| Title of publication | Solvent-free mesityllithium: solid-state structure and its reactivity towards white phosphorus. |
| Authors of publication | Hübner, Alexander; Bernert, Thomas; Sänger, Inge; Alig, Edith; Bolte, Michael; Fink, Lothar; Wagner, Matthias; Lerner, Hans-Wolfram |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 32 |
| Pages of publication | 7528 - 7533 |
| a | 15.27957 ± 0.00061 Å |
| b | 10.61806 ± 0.00043 Å |
| c | 4.74612 ± 0.00019 Å |
| α | 90° |
| β | 96.5964 ± 0.0017° |
| γ | 90° |
| Cell volume | 764.91 ± 0.05 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor R(I) for significantly intense reflections | 0.009115 |
| Goodness-of-fit parameter for all reflections | 1.516 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7026056.cif |
| 205493 | 2018-01-23 | cif/ Removing the _chemical_name_mineral data item that contains an empty value from multiple files. |
7026056.cif |
| 179966 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/60. |
7026056.cif |
| 125566 | 2014-10-20 | cif/7 Fixing some Z values and formulae |
7026056.cif |
| 93393 | 2014-01-13 | cif/ Adding structures of 7026054, 7026055, 7026056 via cif-deposit CGI script. |
7026056.cif |
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Users of the data should acknowledge the original authors of the
structural data.