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Information card for entry 1556384
Preview
| Coordinates | 1556384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25.63 H25.25 Cl3.25 Fe N6 O8 |
|---|---|
| Calculated formula | C25.625 H25.25 Cl3.25 Fe N6 O8 |
| Title of publication | A strong-field pentadentate ligand in iron-based alkane oxidation catalysis and implications for iron(iv) oxo intermediates |
| Authors of publication | Wong, Emma; Jeck, Jonathan; Grau, Michaela; White, Andrew J. P.; Britovsek, George J. P. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 1116 |
| a | 12.2117 ± 0.0003 Å |
| b | 20.6062 ± 0.0004 Å |
| c | 23.4209 ± 0.0005 Å |
| α | 90° |
| β | 90.957 ± 0.002° |
| γ | 90° |
| Cell volume | 5892.7 ± 0.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1246 |
| Residual factor for significantly intense reflections | 0.0863 |
| Weighted residual factors for significantly intense reflections | 0.2159 |
| Weighted residual factors for all reflections included in the refinement | 0.2354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244414 (current) | 2019-11-28 | cif/ Adding structures of 1556384, 1556385 via cif-deposit CGI script. |
1556384.cif |
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