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Information card for entry 1517515
Preview
| Coordinates | 1517515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Tc(toluene)2]PF6 |
|---|---|
| Formula | C14 H16 F6 P Tc |
| Calculated formula | C14 H16 F6 P Tc |
| SMILES | [Tc]123456789%10([c]%11([cH]1[cH]3[cH]5[cH]7[cH]9%11)C)[c]1([cH]2[cH]4[cH]6[cH]8[cH]%101)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate |
| Authors of publication | Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 165 |
| a | 7.7559 ± 0.0008 Å |
| b | 11.003 ± 0.0008 Å |
| c | 8.9353 ± 0.0008 Å |
| α | 90° |
| β | 98.474 ± 0.009° |
| γ | 90° |
| Cell volume | 754.2 ± 0.12 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0609 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517515.cif |
| 130981 | 2015-02-04 | cif/ Updating files of 1517514, 1517515, 1517516, 1517517, 1517518 Original log message: Adding full bibliography for 1517514--1517518.cif. |
1517515.cif |
| 122903 | 2014-09-06 | cif/ Adding structures of 1517514, 1517515, 1517516, 1517517, 1517518 via cif-deposit CGI script. |
1517515.cif |
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Users of the data should acknowledge the original authors of the
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