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Information card for entry 4338289
Preview
| Coordinates | 4338289.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H20.33333 B10 F3 N2 O4.66667 S |
|---|---|
| Calculated formula | C H20.3333 B10 F3 N2 O4.66667 S |
| SMILES | [B]123([BH]456[BH]781[BH]192[BH]234[BH]349[BH]981[BH]157[BH]623[BH]491)OS(=O)(=O)C(F)(F)F.[NH4+].[NH4+].O.O |
| Title of publication | Synthesis, Structural Characterization, and Reactivity Studies of 5-CF3SO3-B10H13. |
| Authors of publication | Berkeley, Emily R.; Ewing, William C.; Carroll, Patrick J.; Sneddon, Larry G. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 5348 - 5358 |
| a | 30.8501 ± 0.001 Å |
| b | 9.0825 ± 0.0003 Å |
| c | 35.4674 ± 0.0011 Å |
| α | 90° |
| β | 105.777 ± 0.002° |
| γ | 90° |
| Cell volume | 9563.4 ± 0.5 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0721 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.138 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| 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 |
|---|---|---|---|
| 179485 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/82. |
4338289.cif |
| 155845 | 2015-09-10 | Fixing some formulae and Z values |
4338289.cif |
| 115713 | 2014-06-05 | cif/ Updating files of 4338285, 4338286, 4338287, 4338288, 4338289 Original log message: Adding full bibliography for 4338285--4338289.cif. |
4338289.cif |
| 112487 | 2014-05-02 | cif/ Adding structures of 4338285, 4338286, 4338287, 4338288, 4338289 via cif-deposit CGI script. |
4338289.cif |
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Users of the data should acknowledge the original authors of the
structural data.