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CIF Information Card
Information card for 4325712
4325711 << 4325712 >> 4325713Preview
|
Coordinates |
4325712.cif |
Structure parameters
| Formula | - C40 H34 Cl F6 Fe N3 - |
| Calculated formula | - C40 H34 Cl F6 Fe N3 - |
| Title of publication | Electronic Perturbations of Iron Dipyrrinato Complexes via Ligand β-Halogenation and meso-Fluoroarylation |
| Authors of publication | Austin B. Scharf; Theodore A. Betley |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 6837 - 6845 |
| a | 8.0378 ± 0.0008 Å |
| b | 13.8834 ± 0.0013 Å |
| c | 16.565 ± 0.0015 Å |
| α | 96.774 ± 0.002° |
| β | 100.237 ± 0.002° |
| γ | 93.746 ± 0.002° |
| Cell volume | 1799.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0609 |
| Residual factor for observed reflections | 0.0445 |
| Weighted residual factors for the observed reflections | 0.1022 |
| Weighted residual factors for all reflections included in the refinement | 0.1097 |
| Goodness-of-fit parameter for observed reflections | 1.054 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |