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Information card for entry 2022423
Preview
| Coordinates | 2022423.cif |
|---|---|
| Structure factors | 2022423.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,6-Dimethylphenolato){tris[(<i>tert</i>-butylsulfanyl)methyl]phenylborato-κ^3^<i>S</i>,<i>S</i>',<i>S</i>''}iron(II) |
|---|---|
| Formula | C29 H47 B Fe O S3 |
| Calculated formula | C29 H47 B Fe O S3 |
| Title of publication | Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart |
| Authors of publication | Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 11.496 ± 0.0019 Å |
| b | 15.036 ± 0.002 Å |
| c | 36.375 ± 0.006 Å |
| α | 90° |
| β | 91.664 ± 0.002° |
| γ | 90° |
| Cell volume | 6284.9 ± 1.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200.15 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268181 (current) | 2021-08-24 | cif/ hkl/ Adding structures of 2022422, 2022423, 2022424, 2022425 via cif-deposit CGI script. |
2022423.cif 2022423.hkl |
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Users of the data should acknowledge the original authors of the
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