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Information card for entry 4125909
Preview
| Coordinates | 4125909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C136.67 H109.67 B3 Cl5 N3 |
|---|---|
| Calculated formula | C136.667 H109.667 B3 Cl5 N3 |
| Title of publication | Borazino-Doped Polyphenylenes. |
| Authors of publication | Marinelli, Davide; Fasano, Francesco; Najjari, Btissam; Demitri, Nicola; Bonifazi, Davide |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 38.284 ± 0.005 Å |
| b | 38.284 ± 0.005 Å |
| c | 47.377 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 60136 ± 16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.1551 |
| Residual factor for significantly intense reflections | 0.1438 |
| Weighted residual factors for significantly intense reflections | 0.3349 |
| Weighted residual factors for all reflections included in the refinement | 0.3418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195216 (current) | 2017-04-06 | cif/ Adding structures of 4125909 via cif-deposit CGI script. |
4125909.cif |
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