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Information card for entry 7239309
Preview
| Coordinates | 7239309.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H26 Cl2 Mn N4 O9 |
|---|---|
| Calculated formula | C21 H26 Cl2 Mn N4 O9 |
| SMILES | [Mn]123([n]4ccccc4C[N]43CC[N]2(CCC4)Cc2[n]1c1ccccc1cc2)(OCl(=O)(=O)=O)[OH2].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Manganese(ii) complexes of tetradentate 4N ligands with diazepane backbones for catalytic olefin epoxidation: effect of nucleophilicity of peroxo complexes on reactivity |
| Authors of publication | Saravanan, Natarajan; Sankaralingam, Muniyandi; Palaniandavar, Mallayan |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 23 |
| Pages of publication | 12000 |
| a | 8.195 ± 0.0002 Å |
| b | 9.6329 ± 0.0002 Å |
| c | 17.085 ± 0.0005 Å |
| α | 101.708 ± 0.001° |
| β | 103.83 ± 0.002° |
| γ | 94.223 ± 0.002° |
| Cell volume | 1271.74 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0789 |
| Residual factor for significantly intense reflections | 0.0635 |
| Weighted residual factors for significantly intense reflections | 0.2212 |
| Weighted residual factors for all reflections included in the refinement | 0.2454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7239309.cif |
| 244646 | 2019-11-28 | cif/ Adding structures of 7239309 via cif-deposit CGI script. |
7239309.cif |
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Users of the data should acknowledge the original authors of the
structural data.