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Information card for entry 7123342
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| Coordinates | 7123342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Y@C2v(9)-C82 Ni(OEP) 2(C6H6) |
|---|---|
| Chemical name | Y@C2v(9)-C82 Ni(OEP) 2(C6H6) |
| Formula | C130 H56 N4 Ni Y |
| Calculated formula | C130 H56 N4 Ni Y0.9998 |
| Title of publication | Intermolecular packing and charge transfer in metallofullerene/porphyrin cocrystals |
| Authors of publication | Lu, Xing; Bao, Lipiao; Wang, Bingzhe; Yu, Pengyuan; Huang, Chenli; Pan, Changwang; Fang, Hongyun; Akasaka, Takeshi; Guldi, Dirk M. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 25.3135 ± 0.0005 Å |
| b | 15.1618 ± 0.0004 Å |
| c | 19.8648 ± 0.0005 Å |
| α | 90° |
| β | 95.035 ± 0.001° |
| γ | 90° |
| Cell volume | 7594.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0761 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1955 |
| Weighted residual factors for all reflections included in the refinement | 0.2022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.6525 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214820 (current) | 2019-04-28 | cif/ Adding structures of 7123342, 7123343 via cif-deposit CGI script. |
7123342.cif |
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Users of the data should acknowledge the original authors of the
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