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Information card for entry 1571969
Preview
| Coordinates | 1571969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 9 |
|---|---|
| Formula | C61.42 H48.26 Fe4 N0.42 O12.58 P3 |
| Calculated formula | C61.422 H48.266 Fe4 N0.422 O12.578 P3 |
| Title of publication | Multi-phosphine-chelated iron-carbide clusters <i>via</i> redox-promoted ligand exchange on an inert hexa-iron-carbide carbonyl cluster, [Fe<sub>6</sub>(μ<sub>6</sub>-C)(μ<sub>2</sub>-CO)<sub>4</sub>(CO)<sub>12</sub>]<sup>2</sup>. |
| Authors of publication | Cobb, Caitlyn R.; Ngo, Ren K.; Dick, Emily J.; Lynch, Vincent M.; Rose, Michael J. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 29 |
| Pages of publication | 11455 - 11471 |
| a | 12.9515 ± 0.0003 Å |
| b | 13.3229 ± 0.0003 Å |
| c | 19.7999 ± 0.0003 Å |
| α | 107.235 ± 0.002° |
| β | 91.498 ± 0.002° |
| γ | 117.671 ± 0.002° |
| Cell volume | 2835.23 ± 0.13 Å3 |
| Cell temperature | 100.02 ± 0.12 K |
| Ambient diffraction temperature | 100.02 ± 0.12 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293740 (current) | 2024-08-05 | cif/ Updating files of 1571968, 1571969, 1571970, 1571971, 1571972, 1571973, 1571974, 1571975, 1571976 Original log message: Adding full bibliography for 1571968--1571976.cif. |
1571969.cif |
| 292547 | 2024-06-25 | cif/ Adding structures of 1571968, 1571969, 1571970, 1571971, 1571972, 1571973, 1571974, 1571975, 1571976 via cif-deposit CGI script. |
1571969.cif |
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Users of the data should acknowledge the original authors of the
structural data.