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Information card for entry 7707397
Preview
| Coordinates | 7707397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H26 Cl2 Fe N10 O9 S3 |
|---|---|
| Calculated formula | C32 H26 Cl2 Fe N10 O9 S3 |
| SMILES | [Fe]123([n]4c(c5[n]1c1ccccc1[nH]5)csc4)([n]1c(c4[n]2c2ccccc2[nH]4)csc1)[n]1c(c2[n]3c3c([nH]2)cccc3)csc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.O |
| Title of publication | A nonheme peroxo-diiron(III) complex exhibiting both nucleophilic and electrophilic oxidation of organic substrates. |
| Authors of publication | Török, Patrik; Unjaroen, Duenpen; Viktória Csendes, Flóra; Giorgi, Michel; Browne, Wesley R.; Kaizer, József |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 21 |
| Pages of publication | 7181 - 7185 |
| a | 11.6635 ± 0.0011 Å |
| b | 12.2558 ± 0.0012 Å |
| c | 14.2597 ± 0.0015 Å |
| α | 86.615 ± 0.008° |
| β | 80.055 ± 0.009° |
| γ | 74.102 ± 0.008° |
| Cell volume | 1930.8 ± 0.3 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1404 |
| Residual factor for significantly intense reflections | 0.0867 |
| Weighted residual factors for significantly intense reflections | 0.1993 |
| Weighted residual factors for all reflections included in the refinement | 0.2325 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288248 (current) | 2023-12-12 | cif/ Removed the misspelt '_symmetry_space_group_name_h-m_alt' data name since the same space group information is already provided using proper data names. |
7707397.cif |
| 266096 | 2021-06-05 | cif/ Updating files of 7707397 Original log message: Adding full bibliography for 7707397.cif. |
7707397.cif |
| 265288 | 2021-05-18 | cif/ Adding structures of 7707397 via cif-deposit CGI script. |
7707397.cif |
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