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Information card for entry 4116409
Preview
| Coordinates | 4116409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H50 Cl Fe N7 O5 |
|---|---|
| Calculated formula | C40 H50 Cl Fe N7 O5 |
| Title of publication | Synthesis, Molecular Structures, and Properties of Six-Coordinate [Fe(OEP)(L)(NO)]+ Derivatives: Elusive Nitrosyl Ferric Porphyrins |
| Authors of publication | Mary K. Ellison; W. Robert Scheidt |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 5210 - 5219 |
| a | 9.3223 ± 0.0005 Å |
| b | 19.1403 ± 0.0009 Å |
| c | 21.5806 ± 0.0012 Å |
| α | 90° |
| β | 98.795 ± 0.003° |
| γ | 90° |
| Cell volume | 3805.4 ± 0.3 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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