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Information card for entry 7028963
Preview
| Coordinates | 7028963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TctacnOnorbornadiol |
|---|---|
| Chemical name | (exo-bicyclo{2.2.1}heptane-2,3-diolato)(oxo) (1,4,7-triazacyclononane)99technetium(V)bromide |
| Formula | C13 H29 Br N3 O5 Tc |
| Calculated formula | C13 H29 Br N3 O5 Tc |
| SMILES | [Tc]123(=O)(O[C@@H]4[C@H](O1)[C@H]1CC[C@@H]4C1)[NH]1CC[NH]2CC[NH]3CC1.O.O.[Br-] |
| Title of publication | A novel (99m)Tc labelling strategy for the development of silica based particles for medical applications. |
| Authors of publication | Wuillemin, Michel A.; Stuber, Wanda T.; Fox, Thomas; Reber, Michael J.; Brühwiler, Dominik; Alberto, Roger; Braband, Henrik |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 11 |
| Pages of publication | 4260 - 4263 |
| a | 7.1578 ± 0.0002 Å |
| b | 11.8422 ± 0.0004 Å |
| c | 21.8142 ± 0.0005 Å |
| α | 92.863 ± 0.002° |
| β | 91.351 ± 0.002° |
| γ | 105.704 ± 0.003° |
| Cell volume | 1776.5 ± 0.09 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 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 | 0.0654 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179995 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/89. |
7028963.cif |
| 105469 | 2014-03-12 | cif/ Adding structures of 7028963 via cif-deposit CGI script. |
7028963.cif |
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Users of the data should acknowledge the original authors of the
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