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Information card for entry 1517105
Preview
| Coordinates | 1517105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H133 Dy2 Fe4 N13 O22 |
|---|---|
| Calculated formula | C68 H130 Dy2 Fe4 N13 O22 |
| SMILES | [Dy]123456([OH]7[Dy]89%10%11([OH]1[Fe]1%12%13([O]8([Fe]8%14([O]1CC[N]%14(CC[O]98)CCCC)([O]=C(O%11)C(C)(C)C)N=N#N)CC[N]%13(CC[O]5%12)CCCC)[O]=C(O3)C(C)(C)C)([O]1[Fe]357([O]7[Fe]8([O]2CC[N]8(CC7)CCCC)([O]43CC[N]5(CC1)CCCC)([O]=C(O6)C(C)(C)C)N=N#N)[O]=C(O%10)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C.N#CC.N#CC.N#CC |
| Title of publication | Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions. |
| Authors of publication | Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K. |
| Journal of publication | Beilstein journal of nanotechnology |
| Year of publication | 2013 |
| Journal volume | 4 |
| Pages of publication | 807 - 814 |
| a | 13.9237 ± 0.0006 Å |
| b | 14.5196 ± 0.0007 Å |
| c | 25.1289 ± 0.001 Å |
| α | 82.856 ± 0.003° |
| β | 79.71 ± 0.003° |
| γ | 65.545 ± 0.003° |
| Cell volume | 4542.9 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0543 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1517105.cif |
| 120241 | 2014-07-14 | cif/ Adding structures of 1517105 via cif-deposit CGI script. |
1517105.cif |
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