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Information card for entry 4088450
Preview
| Coordinates | 4088450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H48 Fe N2 O0.5 P4 |
|---|---|
| Calculated formula | C54 H48 Fe N2 O0.5 P4 |
| Title of publication | A Tertiary Carbon–Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron |
| Authors of publication | Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1643 |
| a | 46.069 ± 0.006 Å |
| b | 10.7732 ± 0.0015 Å |
| c | 17.772 ± 0.002 Å |
| α | 90° |
| β | 98.247 ± 0.002° |
| γ | 90° |
| Cell volume | 8729.2 ± 1.9 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0895 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1061 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4088450.cif |
| 237585 | 2019-11-24 | cif/ Adding structures of 4088449, 4088450, 4088451, 4088452, 4088453, 4088454, 4088455, 4088456 via cif-deposit CGI script. |
4088450.cif |
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Users of the data should acknowledge the original authors of the
structural data.