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Information card for entry 4343337
Preview
| Coordinates | 4343337.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H19 N Na O13 Re |
|---|---|
| Calculated formula | C9 H19 N Na O13 Re |
| SMILES | C(#[O])[Re]12(C#[O])(C#[O])[N](CC(=O)O1)(CC(=O)O2)CCO.[Na+].O.O.O.O.O |
| Title of publication | Structure and Properties of fac-[Re(I)(CO)3(NTA)](2-) (NTA(3-) = Trianion of Nitrilotriacetic Acid) and fac-[Re(I)(CO)3(L)](n-) Analogues Useful for Assessing the Excellent Renal Clearance of the fac-[(99m)Tc(I)(CO)3(NTA)](2-) Diagnostic Renal Agent. |
| Authors of publication | Klenc, Jeffrey; Lipowska, Malgorzata; Abhayawardhana, Pramuditha L.; Taylor, Andrew T.; Marzilli, Luigi G. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 13 |
| Pages of publication | 6281 - 6290 |
| a | 7.066 ± 0.002 Å |
| b | 8.141 ± 0.003 Å |
| c | 16.647 ± 0.007 Å |
| α | 99.428 ± 0.006° |
| β | 97.203 ± 0.006° |
| γ | 109.912 ± 0.004° |
| Cell volume | 871.1 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0274 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| 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. |
4343337.cif |
| 141349 | 2015-07-08 | cif/ Updating files of 4343336, 4343337, 4343338, 4343339 Original log message: Adding full bibliography for 4343336--4343339.cif. |
4343337.cif |
| 139173 | 2015-06-14 | cif/ Adding structures of 4343337 via cif-deposit CGI script. |
4343337.cif |
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Users of the data should acknowledge the original authors of the
structural data.