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Information card for entry 7235199
Preview
| Coordinates | 7235199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60.5 H63 B2 Cl N6 |
|---|---|
| Calculated formula | C60.5 H63 B2 Cl N6 |
| Title of publication | Tuning of electronic properties via labile N->B-coordination in conjugated organoboranes |
| Authors of publication | Sandra Schraff; Yu Sun; Frank Pammer |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 1730 - 1741 |
| a | 13.9954 ± 0.0007 Å |
| b | 14.3264 ± 0.0006 Å |
| c | 14.494 ± 0.0007 Å |
| α | 69.831 ± 0.004° |
| β | 78.92 ± 0.004° |
| γ | 85.791 ± 0.004° |
| Cell volume | 2677 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0837 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1873 |
| Weighted residual factors for all reflections included in the refinement | 0.1969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231047 (current) | 2019-11-19 | cif/ Adding structures of 7235198, 7235199 via cif-deposit CGI script. |
7235199.cif |
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Users of the data should acknowledge the original authors of the
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