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Information card for entry 4338285
Preview
| Coordinates | 4338285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H13 B10 F3 O3 S |
|---|---|
| Calculated formula | C H13 B10 F3 O3 S |
| SMILES | [BH]1234[BH]567[BH]891[BH]1%102[BH]2%119[BH]978[BH]76([B]35([BH]34%10[BH]12([H]%11)[H]3)(OS(=O)(=O)C(F)(F)F)[H]7)[H]9 |
| 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 | 26.5714 ± 0.0013 Å |
| b | 10.1418 ± 0.0004 Å |
| c | 30.0836 ± 0.0013 Å |
| α | 90° |
| β | 107.24 ± 0.002° |
| γ | 90° |
| Cell volume | 7742.8 ± 0.6 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0468 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4338285.cif |
| 115713 | 2014-06-05 | cif/ Updating files of 4338285, 4338286, 4338287, 4338288, 4338289 Original log message: Adding full bibliography for 4338285--4338289.cif. |
4338285.cif |
| 112487 | 2014-05-02 | cif/ Adding structures of 4338285, 4338286, 4338287, 4338288, 4338289 via cif-deposit CGI script. |
4338285.cif |
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Users of the data should acknowledge the original authors of the
structural data.