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Information card for entry 7003306
Preview
| Coordinates | 7003306.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H29 Au B10 N P S |
|---|---|
| Calculated formula | C25 H29 Au B10 N P S |
| SMILES | [Au](S[C]1234[C]567([BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[BH]%11%105[BH]591[BH]138[BH]462[BH]7%1151)c1ncccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, reactivity and complexation studies of N,S exo-heterodisubstituted o-carborane ligands. Carborane as a platform to produce the uncommon bidentate chelating (pyridine)N-C-C-C-S(H) motif |
| Authors of publication | Teixidor, F.; Laromaine, A.; Kivekäs, R.; Sillanpää, R.; Viñas, C.; Vespalec, R.; Horáková, H. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 3 |
| Pages of publication | 345 |
| a | 12.8012 ± 0.0002 Å |
| b | 13.3513 ± 0.0004 Å |
| c | 17.1365 ± 0.0005 Å |
| α | 90° |
| β | 103.541 ± 0.002° |
| γ | 90° |
| Cell volume | 2847.43 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0547 |
| Weighted residual factors for all reflections included in the refinement | 0.0591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179737 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/33. |
7003306.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003306.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003306.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003306.cif |
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