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Information card for entry 4348791
Preview
| Coordinates | 4348791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H37 Mn2 N5 O9 |
|---|---|
| Calculated formula | C35 H37 Mn2 N5 O9 |
| Title of publication | In-Depth Magnetic Characterization of a [2 × 2] Mn(III) Square Grid Using SQUID Magnetometry, Inelastic Neutron Scattering, and High-Field Electron Paramagnetic Resonance Spectroscopy. |
| Authors of publication | Konstantatos, Andreas; Bewley, Robert; Barra, Anne-Laure; Bendix, Jesper; Piligkos, Stergios; Weihe, Høgni |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 20 |
| Pages of publication | 10377 - 10382 |
| a | 23.7556 ± 0.0014 Å |
| b | 12.9539 ± 0.0008 Å |
| c | 22.6368 ± 0.0012 Å |
| α | 90° |
| β | 108.793 ± 0.002° |
| γ | 90° |
| Cell volume | 6594.6 ± 0.7 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| 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 | 0.0587 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0692 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4348791.cif |
| 233348 | 2019-11-23 | cif/ Adding structures of 4348791 via cif-deposit CGI script. |
4348791.cif |
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Users of the data should acknowledge the original authors of the
structural data.