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Information card for entry 7129386
Preview
| Coordinates | 7129386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H24 B10 N4 |
|---|---|
| Calculated formula | C6 H24 B10 N4 |
| SMILES | C(=[B]123[BH]456[BH]781[BH]192[BH]234[BH]349[BH]971[BH]168[BH]523[B]491=C(NC)NC)(NC)NC |
| Title of publication | [closo-B10H8-1,10-(COOH)2]2-: A building block for functional materials? |
| Authors of publication | Kapuscinski, Szymon; Hietsoi, Oleksandr; Pietrzak, Anna; Friedli, Andrienne C.; Kaszynski, Piotr |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 8.8909 ± 0.0004 Å |
| b | 9.1167 ± 0.0005 Å |
| c | 9.7494 ± 0.0004 Å |
| α | 89.142 ± 0.004° |
| β | 84.441 ± 0.003° |
| γ | 80.01 ± 0.004° |
| Cell volume | 774.6 ± 0.06 Å3 |
| Cell temperature | 99.9 ± 0.3 K |
| Ambient diffraction temperature | 99.9 ± 0.3 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271447 (current) | 2021-12-16 | cif/ Adding structures of 7129384, 7129385, 7129386, 7129387 via cif-deposit CGI script. |
7129386.cif |
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Users of the data should acknowledge the original authors of the
structural data.