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Information card for entry 4347141
Preview
| Coordinates | 4347141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H30 Cl6 Fe2 N6 S2 |
|---|---|
| Calculated formula | C45 H30 Cl6 Fe2 N6 S2 |
| Title of publication | Preparation and Protonation of Fe2(pdt)(CNR)6, Electron-Rich Analogues of Fe2(pdt)(CO)6. |
| Authors of publication | Zhou, Xiaoyuan; Barton, Bryan E.; Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 7 |
| Pages of publication | 3401 - 3412 |
| a | 12.0929 ± 0.0006 Å |
| b | 21.3105 ± 0.0011 Å |
| c | 17.7067 ± 0.0009 Å |
| α | 90° |
| β | 90.5607 ± 0.0017° |
| γ | 90° |
| Cell volume | 4562.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0649 |
| Weighted residual factors for significantly intense reflections | 0.161 |
| Weighted residual factors for all reflections included in the refinement | 0.1704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232182 (current) | 2019-11-23 | cif/ Adding structures of 4347140, 4347141 via cif-deposit CGI script. |
4347141.cif |
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