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Information card for entry 4112084
Preview
| Coordinates | 4112084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H48 Cl2 Mn4 N8 O26 |
|---|---|
| Calculated formula | C36 H48 Cl2 Mn4 N8 O26 |
| Title of publication | Slow Relaxation in a One-Dimensional Rational Assembly of Antiferromagnetically Coupled [Mn4] Single-Molecule Magnets |
| Authors of publication | Lollita Lecren; Olivier Roubeau; Claude Coulon; Yang-Guang Li; Xavier F. Le Goff; Wolfgang Wernsdorfer; Hitoshi Miyasaka; Rodolphe Clérac |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 17353 - 17363 |
| a | 10.084 ± 0.002 Å |
| b | 11.692 ± 0.002 Å |
| c | 12.112 ± 0.002 Å |
| α | 78.2 ± 0.03° |
| β | 84.4 ± 0.03° |
| γ | 67.7 ± 0.03° |
| Cell volume | 1293 ± 0.5 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 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 | 0.1431 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for significantly intense reflections | 0.1574 |
| Weighted residual factors for all reflections included in the refinement | 0.1987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4112084.cif |
| 178891 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/20. |
4112084.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112084.cif |
| 63704 | 2012-08-06 | cif/ Adding structures of 4112084 via cif-deposit CGI script. |
4112084.cif |
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Users of the data should acknowledge the original authors of the
structural data.