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Information card for entry 4342083
Preview
| Coordinates | 4342083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 N3 O6 Re |
|---|---|
| Calculated formula | C15 H14 N3 O6 Re |
| SMILES | [Re]1(OC(=O)c2[n]1cccc2)([n]1ccc(N)cc1)(C#[O])(C#[O])C#[O].OC |
| Title of publication | Influence of Functionalized Pyridine Ligands on the Radio/Chemical Behavior of [M(I)(CO)3](+) (M = Re and (99m)Tc) 2 + 1 Complexes. |
| Authors of publication | Hayes, Thomas R.; Lyon, Patrice A.; Barnes, Charles L.; Trabue, Steven; Benny, Paul D. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1528 - 1534 |
| a | 8.1472 ± 0.0008 Å |
| b | 8.7294 ± 0.0008 Å |
| c | 12.1803 ± 0.0011 Å |
| α | 85.858 ± 0.001° |
| β | 83.251 ± 0.001° |
| γ | 82.33 ± 0.001° |
| Cell volume | 851.16 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0199 |
| Residual factor for significantly intense reflections | 0.0192 |
| Weighted residual factors for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections included in the refinement | 0.048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179523 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20. |
4342083.cif |
| 132816 | 2015-03-04 | cif/ Updating files of 4342080, 4342081, 4342082, 4342083, 4342084 Original log message: Adding full bibliography for 4342080--4342084.cif. |
4342083.cif |
| 129790 | 2015-01-17 | cif/ Adding structures of 4342080, 4342081, 4342082, 4342083, 4342084 via cif-deposit CGI script. |
4342083.cif |
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Users of the data should acknowledge the original authors of the
structural data.