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Information card for entry 7036978
Preview
| Coordinates | 7036978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H14 I N S |
|---|---|
| Calculated formula | C8 H14 I N S |
| Title of publication | A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes. |
| Authors of publication | Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 2138 - 2147 |
| a | 12.0281 ± 0.0014 Å |
| b | 7.7753 ± 0.0009 Å |
| c | 11.5619 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1081.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0521 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176081 (current) | 2016-02-05 | cif/ Updating files of 7036976, 7036977, 7036978, 7036979, 7036980, 7036981, 7036982, 7036983 Original log message: Adding full bibliography for 7036976--7036983.cif. |
7036978.cif |
| 169880 | 2015-10-30 | cif/ Adding structures of 7036976, 7036977, 7036978, 7036979, 7036980, 7036981, 7036982, 7036983 via cif-deposit CGI script. |
7036978.cif |
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Users of the data should acknowledge the original authors of the
structural data.