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Information card for entry 7117744
Preview
| Coordinates | 7117744.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H B11 Cl9 Cs F6 O6 S2 |
|---|---|
| Calculated formula | C3 H B11 Cl9 Cs F6 O6 S2 |
| Title of publication | Triflyloxy-substituted carboranes as useful weakly coordinating anions |
| Authors of publication | Loren P. Press; Billy J. McCulloch; Weixing Gu; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 14034 |
| a | 17.7687 ± 0.0008 Å |
| b | 15.7898 ± 0.0008 Å |
| c | 18.9559 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5318.3 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for all reflections | 0.087 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9916 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7117744.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7117744.cif |
| 153893 | 2015-09-02 | cif/ Adding structures of 7117735, 7117736, 7117737, 7117738, 7117739, 7117740, 7117741, 7117742, 7117743, 7117744 via cif-deposit CGI script. |
7117744.cif |
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Users of the data should acknowledge the original authors of the
structural data.