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Information card for entry 1515047
Preview
| Coordinates | 1515047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H24 Cr Dy F26 N4 O8 |
|---|---|
| Calculated formula | C40 H24 Cr Dy F26 N4 O8 |
| SMILES | [Cr]([F][Dy]1234(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O4)C(F)(F)F)C(F)(F)F)(F)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1 |
| Title of publication | Direct observation of a ferri-to-ferromagnetic transition in a fluoride-bridged 3d‒4f molecular cluster |
| Authors of publication | Dreiser, Jan; Pedersen, Kasper S.; Piamonteze, Cinthia; Rusponi, Stefano; Salman, Zaher; Ali, Md. Ehesan; Schau-Magnussen, Magnus; Thuesen, Christian Aa.; Piligkos, Stergios; Weihe, Høgni; Mutka, Hannu; Waldmann, Oliver; Oppeneer, Peter; Bendix, Jesper; Nolting, Frithjof; Brune, Harald |
| Journal of publication | Chemical Science |
| Year of publication | 2012 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | 1024 |
| a | 12.515 ± 0.005 Å |
| b | 19.836 ± 0.007 Å |
| c | 21.392 ± 0.006 Å |
| α | 85.52 ± 0.03° |
| β | 81.35 ± 0.04° |
| γ | 86.229 ± 0.019° |
| Cell volume | 5226 ± 3 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515047.cif |
| 110850 | 2014-04-20 | cif/ Adding structures of 1515046, 1515047 via cif-deposit CGI script. |
1515047.cif |
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Users of the data should acknowledge the original authors of the
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