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Information card for entry 7043936
Preview
| Coordinates | 7043936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H66.8 Mn N3 O3.4 S Si2 |
|---|---|
| Calculated formula | C41 H66.8 Mn N3 O3.4 S Si2 |
| Title of publication | A five-coordinate manganese(III) complex of a salen type ligand with a positive axial anisotropy parameter D |
| Authors of publication | Sova, Sergiu; Vlad, Angelica; Cazacu, Maria; Krzystek, Jurek; Bucinsky, Lukas; Breza, Martin; Darvasiova, Denisa; Rapta, P.; Cano, Joan; Telser, Joshua; Arion, Vladimir |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 29.3668 ± 0.0008 Å |
| b | 29.3668 ± 0.0008 Å |
| c | 11.784 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10162.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.1013 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1445 |
| Weighted residual factors for all reflections included in the refinement | 0.1671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199657 (current) | 2017-08-09 | cif/ Adding structures of 7043936 via cif-deposit CGI script. |
7043936.cif |
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