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Information card for entry 7014163
Preview
| Coordinates | 7014163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H76 Li4 O4 P8 |
|---|---|
| Calculated formula | C64 H76 Li4 O4 P8 |
| SMILES | [Li]12([P]3([P@@H](c4ccccc4)[Li]4([P]5([Li]([P]([Li]3([O]3CCCC3)[P@@H]5c3ccccc3)([P@@H]1c1ccccc1)c1ccccc1)([O]1CCCC1)[P@H]([P]24c1ccccc1)c1ccccc1)c1ccccc1)[O]1CCCC1)c1ccccc1)[O]1CCCC1 |
| Title of publication | Selective formation of the [PhP(H)-PPh]- anion in the reaction of PhPHLi with MeAlCl(2); synthesis and structure of the unusual tetramer [(PhP(H)-PPh)Li.thf]4. |
| Authors of publication | Garcia, Felipe; Humphrey, Simon M.; Kowenicki, Richard A.; McPartlin, Mary; Wright, Dominic S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 7 |
| Pages of publication | 977 - 979 |
| a | 20.0636 ± 0.0006 Å |
| b | 20.0636 ± 0.0006 Å |
| c | 8.9176 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3589.76 ± 0.17 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.18 |
| Weighted residual factors for all reflections included in the refinement | 0.1885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179845 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/41. |
7014163.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014163.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014163.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7014163.cif |
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