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Information card for entry 1577437
Preview
| Coordinates | 1577437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H132 B42 K2 O18 |
|---|---|
| Calculated formula | C68 H132 B42 K2 O18 |
| Title of publication | Bis(Carboranyl)boryl Anions |
| Authors of publication | Vashisth, Kanika; Thornton, Ragene; Yoon, Bohak; Martin, Caleb Daniel |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 11.9698 ± 0.0008 Å |
| b | 14.6251 ± 0.0009 Å |
| c | 16.1758 ± 0.0011 Å |
| α | 64.822 ± 0.002° |
| β | 76.409 ± 0.002° |
| γ | 72.142 ± 0.002° |
| Cell volume | 2421.2 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1079 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1585 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0362 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306651 (current) | 2026-06-25 | cif/ Adding structures of 1577437, 1577438, 1577439, 1577440, 1577441 via cif-deposit CGI script. |
1577437.cif |
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Users of the data should acknowledge the original authors of the
structural data.