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Information card for entry 2312471
Preview
| Coordinates | 2312471.cif |
|---|---|
| Structure factors | 2312471.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(acetonitrile)tetrakis(1-benzyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)iron(II) μ-oxido-bis[trichloridoferrate(III)] acetonitrile disolvate |
|---|---|
| Formula | C44 H48 Cl6 Fe3 N16 O |
| Calculated formula | C44 H48 Cl6 Fe3 N16 O |
| Title of publication | Synthesis and crystal structure of an iron triazole complex resulting from the unexpected ligand cleavage of a triazolium carbene precursor. |
| Authors of publication | Pacholski, Roman; Durka, Krzysztof; Buchalski, Piotr |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 5 |
| a | 8.9568 ± 0.0003 Å |
| b | 12.8555 ± 0.0004 Å |
| c | 12.8951 ± 0.0005 Å |
| α | 116.349 ± 0.004° |
| β | 91.178 ± 0.003° |
| γ | 91.622 ± 0.003° |
| Cell volume | 1329.09 ± 0.09 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0854 |
| Residual factor for significantly intense reflections | 0.0795 |
| Weighted residual factors for significantly intense reflections | 0.2298 |
| Weighted residual factors for all reflections included in the refinement | 0.2377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291224 (current) | 2024-04-16 | cif/ hkl/ Adding structures of 2312471 via cif-deposit CGI script. |
2312471.cif 2312471.hkl |
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Users of the data should acknowledge the original authors of the
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