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CIF Information Card
Information card for 7107678
7107677 << 7107678 >> 7107679Preview
|
Coordinates |
7107678.cif |
Structure parameters
| Common name | chloropalladium meso-anthriporphyrin |
| Formula | - C57.55 H42.1 Cl3.3 N3 O0.1 Pd - |
| Calculated formula | - C57.55 H41.9 Cl3.3 N3 O0.1 Pd - |
| 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 | 50.222 ± 0.015 Å |
| b | 50.222 ± 0.015 Å |
| c | 9.718 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 21227 ± 11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | R -3 :H |
| Hall symmetry space group | -R 3 |
| Residual factor for all reflections | 0.0813 |
| Residual factor for observed reflections | 0.0424 |
| Weighted residual factors for the observed reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for observed reflections | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |