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Information card for entry 7036551
Preview
| Coordinates | 7036551.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 Br2 N4 O6 Re2 |
|---|---|
| Calculated formula | C18 H10 Br2 N4 O6 Re2 |
| SMILES | Br[Re]1(C#[O])(C#[O])(C#[O])[n]2ccccc2C=[N]1[N]1=Cc2cccc[n]2[Re]1(Br)(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 | 11.4508 ± 0.0007 Å |
| b | 11.8036 ± 0.0007 Å |
| c | 11.8641 ± 0.0007 Å |
| α | 75.213 ± 0.004° |
| β | 67.04 ± 0.003° |
| γ | 65.574 ± 0.004° |
| Cell volume | 1335.9 ± 0.15 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7036551.cif |
| 161233 | 2015-10-09 | cif/ Updating files of 7036549, 7036550, 7036551, 7036552, 7036553 Original log message: Adding full bibliography for 7036549--7036553.cif. |
7036551.cif |
| 156714 | 2015-09-17 | cif/ Adding structures of 7036549, 7036550, 7036551, 7036552, 7036553 via cif-deposit CGI script. |
7036551.cif |
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Users of the data should acknowledge the original authors of the
structural data.