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Information card for entry 4124376
Preview
| Coordinates | 4124376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H125 Fe6 N27 |
|---|---|
| Calculated formula | C88 H125 Fe6 N27 |
| Title of publication | Ligand Field Strength Mediates Electron Delocalization in Octahedral [((H)L)2Fe6(L')m](n+) Clusters. |
| Authors of publication | Hernández Sánchez, Raúl; Zheng, Shao-Liang; Betley, Theodore A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 34 |
| Pages of publication | 11126 - 11143 |
| a | 15.345 ± 0.003 Å |
| b | 20.716 ± 0.005 Å |
| c | 29.732 ± 0.007 Å |
| α | 90° |
| β | 103.496 ± 0.004° |
| γ | 90° |
| Cell volume | 9190 ± 4 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for significantly intense reflections | 0.1785 |
| Weighted residual factors for all reflections included in the refinement | 0.1822 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154268 (current) | 2015-09-04 | cif/ Adding structures of 4124373, 4124374, 4124375, 4124376, 4124377, 4124378 via cif-deposit CGI script. |
4124376.cif |
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Users of the data should acknowledge the original authors of the
structural data.