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Information card for entry 7003304
Preview
| Coordinates | 7003304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H33 B9 N2 S |
|---|---|
| Calculated formula | C14 H33 B9 N2 S |
| SMILES | S([C]123[BH]456[BH]789[BH]%10%114[BH]4%129[BH]9%138[BH]157[BH]139[BH]4%13([H]1)[BH]%11%12[C]26%10c1ncccc1)C(C)C.[N+](C)(C)(C)C |
| 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 | 9.002 ± 0.0009 Å |
| b | 14.9136 ± 0.0014 Å |
| c | 15.8719 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2130.8 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
7003304.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003304.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003304.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. | 7003304.cif |
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