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Information card for entry 7032815
Preview
| Coordinates | 7032815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H32 F6 P Sb Se |
|---|---|
| Calculated formula | C18 H32 F6 P Sb Se |
| SMILES | [Sb](F)(F)(F)(F)(F)[F-].[P+](C(C)(C)C)(C(C)(C)C)(C(C)(C)C)[Se]c1ccccc1 |
| Title of publication | Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre. |
| Authors of publication | Forfar, Laura C.; Green, Michael; Haddow, Mairi F.; Hussein, Sharifa; Lynam, Jason M.; Slattery, John M.; Russell, Christopher A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 1 |
| Pages of publication | 110 - 118 |
| a | 8.4039 ± 0.0003 Å |
| b | 15.0539 ± 0.0005 Å |
| c | 35.2907 ± 0.0011 Å |
| α | 90° |
| β | 90.01° |
| γ | 90° |
| Cell volume | 4464.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0244 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.0621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.219 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183084 (current) | 2016-05-23 | cif/7 Fixing some Z values and formulae |
7032815.cif |
| 180034 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28. |
7032815.cif |
| 131068 | 2015-02-04 | cif/ Updating files of 7032814, 7032815, 7032816, 7032817 Original log message: Adding full bibliography for 7032814--7032817.cif. |
7032815.cif |
| 125485 | 2014-10-17 | cif/ Adding structures of 7032814, 7032815, 7032816, 7032817 via cif-deposit CGI script. |
7032815.cif |
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Users of the data should acknowledge the original authors of the
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