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Information card for entry 2243677
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| Coordinates | 2243677.cif |
|---|---|
| Structure factors | 2243677.hkl |
| Original IUCr paper | HTML |
| Common name | Potassium 9,9-difluoro-10-oxa-9-boraphenanthren-9-ide |
|---|---|
| Chemical name | Potassium 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide |
| Formula | C12 H8 B F2 K O |
| Calculated formula | C12 H8 B F2 K O |
| Title of publication | Two salts of the 6,6-difluoro-6<i>H</i>-dibenzo[<i>c</i>,<i>e</i>][1,2]oxaborinin-6-ide anion with different cations |
| Authors of publication | Budanow, Alexandra; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 12 |
| Pages of publication | 1837 - 1840 |
| a | 13.2962 ± 0.001 Å |
| b | 6.23 ± 0.0004 Å |
| c | 12.9294 ± 0.0011 Å |
| α | 90° |
| β | 97.226 ± 0.006° |
| γ | 90° |
| Cell volume | 1062.5 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259160 (current) | 2020-11-18 | cif/ hkl/ Adding structures of 2243677, 2243678 via cif-deposit CGI script. |
2243677.cif 2243677.hkl |
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Users of the data should acknowledge the original authors of the
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