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CIF Information Card
Information card for 7107679
7107678 << 7107679 >> 7107680Preview
|
Coordinates |
7107679.cif |
Structure parameters
| Common name | meso-anthriporphyrin monocation |
| Formula | - C57 H36.5 F4.5 N3 O3 - |
| Calculated formula | - C56 H36 F3 N3 O2 - |
| Title of publication | Toward aceneporphyrinoids: synthesis and transformations of palladium(II) meso-anthriporphyrin |
| Authors of publication | Bartosz Szyszko; Lechoslaw Latos-Grazynski; Ludmila Szterenberg |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 5004 |
| a | 16.924 ± 0.005 Å |
| b | 24.465 ± 0.008 Å |
| c | 11.989 ± 0.003 Å |
| α | 90° |
| β | 92.57 ± 0.03° |
| γ | 90° |
| Cell volume | 4959 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1166 |
| Residual factor for observed reflections | 0.0684 |
| Weighted residual factors for the observed reflections | 0.1899 |
| Weighted residual factors for all reflections included in the refinement | 0.2046 |
| Goodness-of-fit parameter for observed reflections | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |