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Information card for entry 7238903
Preview
| Coordinates | 7238903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H68 N |
|---|---|
| Calculated formula | C91.9738 H68 N |
| Title of publication | Structure and spectral properties of fullerene ‒ tetraoctylammonium bromide composition in neutral and ionic states: experimental data and theoretical analysis |
| Authors of publication | Shestakov, Alexander F.; Konarev, Dmitri V.; Simonov, Sergey V.; Khasanov, Salavat S.; Lapshin, Alexander N.; Goldshleger, Nataliya F. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 22 |
| Pages of publication | 8341 |
| a | 14.727 ± 0.001 Å |
| b | 18.251 ± 0.002 Å |
| c | 22.211 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5969.9 ± 0.9 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.198 |
| Residual factor for significantly intense reflections | 0.1222 |
| Weighted residual factors for significantly intense reflections | 0.311 |
| Weighted residual factors for all reflections included in the refinement | 0.3396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.84 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244458 (current) | 2019-11-28 | cif/ Adding structures of 7238903 via cif-deposit CGI script. |
7238903.cif |
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Users of the data should acknowledge the original authors of the
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