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Information card for entry 7039570
Preview
| Coordinates | 7039570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | C21 H21 Fe, 1.5(C7 H8), C18 H48 Cl5 Mg3 N6 |
|---|---|
| Formula | C49.5 H81 Cl5 Fe Mg3 N6 |
| Calculated formula | C49.5 H81 Cl5 Fe Mg3 N6 |
| Title of publication | The influence of the ligand chelate effect on iron-amine-catalysed Kumada cross-coupling. |
| Authors of publication | Bedford, Robin B.; Brenner, Peter B.; Elorriaga, David; Harvey, Jeremy N.; Nunn, Joshua |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 40 |
| Pages of publication | 15811 - 15817 |
| a | 15.0139 ± 0.0019 Å |
| b | 18.539 ± 0.002 Å |
| c | 21.231 ± 0.003 Å |
| α | 90° |
| β | 101.622 ± 0.004° |
| γ | 90° |
| Cell volume | 5788.3 ± 1.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.0608 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1415 |
| Weighted residual factors for all reflections included in the refinement | 0.1485 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039570.cif |
| 188211 | 2016-11-08 | cif/ Updating files of 7039568, 7039569, 7039570 Original log message: Adding full bibliography for 7039568--7039570.cif. |
7039570.cif |
| 183658 | 2016-06-17 | cif/ Adding structures of 7039568, 7039569, 7039570 via cif-deposit CGI script. |
7039570.cif |
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Users of the data should acknowledge the original authors of the
structural data.