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Information card for entry 7227266
Preview
| Coordinates | 7227266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C254 H249 N12 O12 Zn2 |
|---|---|
| Calculated formula | C254 H249 N12 O12 Zn2 |
| Title of publication | Solid-state Inclusion of C60 and C70 in a Co-polymer Induced by Metal-Ligand Coordination of a Zn-Porphyrin Cage with a bis-pyridyl Perylene Derivative |
| Authors of publication | Escudero, Eduardo Carmelo; Bauza, Antonio; Hernández-Eguía, Laura P; Würthner, Frank; Ballester, Pablo; Frontera, Antonio |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| a | 12.5655 ± 0.0004 Å |
| b | 29.3398 ± 0.0006 Å |
| c | 31.6215 ± 0.0009 Å |
| α | 65.535 ± 0.002° |
| β | 88.865 ± 0.002° |
| γ | 84.862 ± 0.002° |
| Cell volume | 10566.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.121 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1848 |
| Weighted residual factors for all reflections included in the refinement | 0.2093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189113 (current) | 2016-12-14 | cif/ Adding structures of 7227265, 7227266, 7227267 via cif-deposit CGI script. |
7227266.cif |
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Users of the data should acknowledge the original authors of the
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