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Information card for entry 4128991
Preview
| Coordinates | 4128991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H68 B F24 Fe P3 Si |
|---|---|
| Calculated formula | C70 H68 B F24 Fe P3 Si |
| Title of publication | Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes. |
| Authors of publication | Citek, Cooper; Oyala, Paul H.; Peters, Jonas C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 38 |
| Pages of publication | 15211 - 15221 |
| a | 12.847 ± 0.004 Å |
| b | 38.23 ± 0.011 Å |
| c | 14.423 ± 0.004 Å |
| α | 90° |
| β | 92.285 ± 0.012° |
| γ | 90° |
| Cell volume | 7078 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.0868 |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.1649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.246 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222007 (current) | 2019-11-03 | cif/ Adding structures of 4128990, 4128991, 4128992, 4128993 via cif-deposit CGI script. |
4128991.cif |
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