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Information card for entry 7036549
Preview
| Coordinates | 7036549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H10 Br N4 O3 Re |
|---|---|
| Calculated formula | C15 H10 Br N4 O3 Re |
| SMILES | [Re]1(Br)([n]2ccccc2C=[N]1/N=C/c1ncccc1)(C#[O])(C#[O])C#[O] |
| Title of publication | Hydrazine-mediated strongly coupled Re(CO)3 dimers. |
| Authors of publication | Hasheminasab, A.; Rhoda, H. M.; Crandall, L. A.; Ayers, J. T.; Nemykin, V. N.; Herrick, R. S.; Ziegler, C. J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 39 |
| Pages of publication | 17268 - 17277 |
| a | 7.036 ± 0.003 Å |
| b | 9.082 ± 0.004 Å |
| c | 13.336 ± 0.006 Å |
| α | 81.144 ± 0.004° |
| β | 84.259 ± 0.004° |
| γ | 72.527 ± 0.004° |
| Cell volume | 801.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0209 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0512 |
| Weighted residual factors for all reflections included in the refinement | 0.0517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036549.cif |
| 161233 | 2015-10-09 | cif/ Updating files of 7036549, 7036550, 7036551, 7036552, 7036553 Original log message: Adding full bibliography for 7036549--7036553.cif. |
7036549.cif |
| 156714 | 2015-09-17 | cif/ Adding structures of 7036549, 7036550, 7036551, 7036552, 7036553 via cif-deposit CGI script. |
7036549.cif |
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Users of the data should acknowledge the original authors of the
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