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Information card for entry 4343086
Preview
| Coordinates | 4343086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [TcL10] |
|---|---|
| Formula | C23 H25 N4 O5 S Tc |
| Calculated formula | C23 H25 N4 O5 S Tc |
| Title of publication | Rhenium and Technetium Complexes with Pentadentate Thiocarbamoylbenzamidines: Steps toward Bioconjugation. |
| Authors of publication | Nguyen, Hung Huy; Pham, Chien Thang; Abram, Ulrich |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 12 |
| Pages of publication | 5949 - 5959 |
| a | 32.213 ± 0.002 Å |
| b | 7.1873 ± 0.001 Å |
| c | 20.453 ± 0.002 Å |
| α | 90° |
| β | 100.286 ± 0.01° |
| γ | 90° |
| Cell volume | 4659.3 ± 0.9 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0963 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288540 (current) | 2023-12-24 | Corrected misspelt variants of the '_computing_publication_material' data name in multiple entries. |
4343086.cif |
| 176428 | 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. |
4343086.cif |
| 141352 | 2015-07-09 | cif/ Updating files of 4343085, 4343086, 4343087 Original log message: Adding full bibliography for 4343085--4343087.cif. |
4343086.cif |
| 137540 | 2015-05-30 | cif/ Adding structures of 4343085, 4343086, 4343087 via cif-deposit CGI script. |
4343086.cif |
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Users of the data should acknowledge the original authors of the
structural data.