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Information card for entry 4304404
Preview
| Coordinates | 4304404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H19 N4 O5 Tc |
|---|---|
| Calculated formula | C14 H19 N4 O5 Tc |
| Title of publication | High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities |
| Authors of publication | Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 257 - 264 |
| a | 7.2448 ± 0.0002 Å |
| b | 8.5727 ± 0.0002 Å |
| c | 12.7729 ± 0.0003 Å |
| α | 89.856 ± 0.002° |
| β | 80.937 ± 0.002° |
| γ | 84.641 ± 0.002° |
| Cell volume | 779.9 ± 0.03 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 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 | 0.0251 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.0503 |
| Weighted residual factors for all reflections included in the refinement | 0.0512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4304404.cif |
| 179082 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/44. |
4304404.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304404.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304404.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304404.cif |
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Users of the data should acknowledge the original authors of the
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