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Information card for entry 7116188
Preview
| Coordinates | 7116188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [RuIII2DyIII2(OMe)2(O2CPh)4(mdea)2(NO3)2] |
|---|---|
| Formula | C40 H48 Dy2 N4 O20 Ru2 |
| Calculated formula | C40 H48 Dy2 N4 O20 Ru2 |
| SMILES | C[O]12[Dy]34567([O]8CC[N]9(CC[O]%10[Ru]189([O]=C(c1ccccc1)O[Dy]1289%10([O]6(C)[Ru]26([N](CC[O]52)(CC[O]16)C)([O]=C(c1ccccc1)O7)[O]=C(O8)c1ccccc1)ON(=[O]9)=O)[O]=C(O3)c1ccccc1)C)ON(=[O]4)=O |
| Title of publication | The first 4d/4f single-molecule magnet containing a {Ru(III)2Dy(III)2} core. |
| Authors of publication | Langley, Stuart K.; Wielechowski, Daniel P.; Vieru, Veacheslav; Chilton, Nicholas F.; Moubaraki, Boujemaa; Chibotaru, Liviu F.; Murray, Keith S. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 11 |
| Pages of publication | 2044 - 2047 |
| a | 8.096 ± 0.0016 Å |
| b | 17.161 ± 0.003 Å |
| c | 17.146 ± 0.003 Å |
| α | 90° |
| β | 92.44 ± 0.03° |
| γ | 90° |
| Cell volume | 2380 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71079 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7116188.cif |
| 180275 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/61. |
7116188.cif |
| 130933 | 2015-02-04 | cif/ Updating files of 7116188 Original log message: Adding full bibliography for 7116188.cif. |
7116188.cif |
| 129290 | 2015-01-01 | cif/ Adding structures of 7116188 via cif-deposit CGI script. |
7116188.cif |
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