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Information card for entry 4110461
Preview
| Coordinates | 4110461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42.1 H42.4 Mn2 N8 O10.1 S8 |
|---|---|
| Calculated formula | C42.1 H42.4 Mn2 N8 O10.1 S8 |
| Title of publication | Very Strong Ferromagnetic Interaction in a New Binuclear μ-Methoxo-Bridged Mn(III) Complex: Synthesis, Crystal Structure, Magnetic Properties, and DFT Calculations |
| Authors of publication | Chahrazed Beghidja; Guillaume Rogez; Jens Kortus; Marcel Wesolek; Richard Welter |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 3140 - 3141 |
| a | 16.609 ± 0.002 Å |
| b | 15.269 ± 0.005 Å |
| c | 21.061 ± 0.006 Å |
| α | 90° |
| β | 105.68 ± 0.05° |
| γ | 90° |
| Cell volume | 5142 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2276 |
| Residual factor for significantly intense reflections | 0.0957 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4110461.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4110461.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110461.cif |
| 59260 | 2012-06-05 | cif/ Adding structures of 4110461 via cif-deposit CGI script. |
4110461.cif |
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Users of the data should acknowledge the original authors of the
structural data.