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Information card for entry 1576302
Preview
| Coordinates | 1576302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H62 B10 O P2 |
|---|---|
| Calculated formula | C53 H62 B10 O P2 |
| Title of publication | Raising the HOMO level of the [closo-B10H10]2− anion: apical alkyl derivatives for modern materials |
| Authors of publication | Jakubowski, Rafał; Ogunmola, Kehinde; Hietsoi, Oleksandr; Friedli, Andrienne C.; Shaughnessy, Kevin H.; Kaszyński, Piotr |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.5108 ± 0.0002 Å |
| b | 13.8768 ± 0.0002 Å |
| c | 31.3332 ± 0.0004 Å |
| α | 90° |
| β | 98.329 ± 0.001° |
| γ | 90° |
| Cell volume | 4952.16 ± 0.13 Å3 |
| Cell temperature | 99.8 ± 0.8 K |
| Ambient diffraction temperature | 99.8 ± 0.8 K |
| Number of distinct elements | 5 |
| 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 | 0.0638 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1639 |
| Weighted residual factors for all reflections included in the refinement | 0.1682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303367 (current) | 2025-11-25 | cif/ Adding structures of 1576302, 1576303 via cif-deposit CGI script. |
1576302.cif |
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Users of the data should acknowledge the original authors of the
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