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Information card for entry 1565678
Preview
| Coordinates | 1565678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 Mn N2 O4 |
|---|---|
| Calculated formula | C19 H20 Mn N2 O4 |
| Title of publication | A rare flattened tetrahedral Mn(II) salen type complex: Synthesis, crystal structure, biomimetic catalysis and DFT study |
| Authors of publication | Banerjee, Saikat; Ghorai, Pravat; Sarkar, Papiya; Panja, Anangamohan; Saha, Amrita |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 499 |
| Pages of publication | 119176 |
| a | 24.7944 ± 0.001 Å |
| b | 8.0362 ± 0.0003 Å |
| c | 8.6956 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1732.62 ± 0.12 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.1598 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271352 (current) | 2021-12-13 | cif/ Adding structures of 1565678 via cif-deposit CGI script. |
1565678.cif |
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