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Information card for entry 7113751
Preview
| Coordinates | 7113751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H31 Br0.36 Cl0.64 P2 |
|---|---|
| Calculated formula | C23 H31 Br0.363 Cl0.637 P2 |
| Title of publication | The first structurally authenticated alkali metal 1,3-diphosphaallyl complex [{ButC(PMes)2}Li(thf)3] (Mes = 2,4,6-Me3C6H2): an alternative synthetic approach to substituted 1,3-diphosphaallyl complexes |
| Authors of publication | Liddle, Stephen T.; Izod, Keith |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 6 |
| Pages of publication | 772 - 773 |
| a | 8.8412 ± 0.0006 Å |
| b | 9.4818 ± 0.0006 Å |
| c | 14.4128 ± 0.001 Å |
| α | 109.001 ± 0.002° |
| β | 92.033 ± 0.002° |
| γ | 98.202 ± 0.002° |
| Cell volume | 1126.37 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104027 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210528 (current) | 2018-09-07 | cif/7/ Updating bibliography in entries 7104027-7104028, 7113751-7113752. Marking entries 7113751-7113752 as duplicates of entries 7104027-7104028. |
7113751.cif |
| 180251 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/37. |
7113751.cif |
| 115243 | 2014-06-02 | cif/ Adding structures of 7113751, 7113752 via cif-deposit CGI script. |
7113751.cif |
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Users of the data should acknowledge the original authors of the
structural data.