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Information card for entry 7063190
Preview
| Coordinates | 7063190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H33 N2 |
|---|---|
| Calculated formula | C97 H33 N2 |
| Title of publication | Monomers and dimers of fullerenes in the radical anion salts with dyes, (astrophloxine+)2(C60˙−)2 and (astrophloxine+)2(C70−)2: suppression of the C60˙− dimerization by π-stacking |
| Authors of publication | Sobov, Pavel A.; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2024 |
| Journal volume | 48 |
| Journal issue | 22 |
| Pages of publication | 10002 - 10009 |
| a | 10.6964 ± 0.0004 Å |
| b | 15.0127 ± 0.0007 Å |
| c | 33.7803 ± 0.0014 Å |
| α | 90° |
| β | 92.748 ± 0.004° |
| γ | 90° |
| Cell volume | 5418.3 ± 0.4 Å3 |
| Cell temperature | 103 ± 1 K |
| Ambient diffraction temperature | 103 ± 1 K |
| Number of distinct elements | 3 |
| 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 | 0.1852 |
| Residual factor for significantly intense reflections | 0.0819 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293189 (current) | 2024-07-05 | cif/ Updating files of 7063190, 7063191 Original log message: Adding full bibliography for 7063190--7063191.cif. |
7063190.cif |
| 291468 | 2024-05-03 | cif/ Adding structures of 7063190, 7063191 via cif-deposit CGI script. |
7063190.cif |
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Users of the data should acknowledge the original authors of the
structural data.