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Information card for entry 7227267
Preview
| Coordinates | 7227267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C374 H324 N12 O12 Zn2 |
|---|---|
| Calculated formula | C374 H324 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 | 23.33 ± 0.004 Å |
| b | 37.315 ± 0.006 Å |
| c | 32.612 ± 0.005 Å |
| α | 90° |
| β | 92.835 ± 0.004° |
| γ | 90° |
| Cell volume | 28356 ± 8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1343 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1498 |
| Weighted residual factors for all reflections included in the refinement | 0.1852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 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. |
7227267.cif |
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Users of the data should acknowledge the original authors of the
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