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Information card for entry 7038397
Preview
Coordinates | 7038397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H33 Dy F9 N2 O6 |
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Calculated formula | C52 H33 Dy F9 N2 O6 |
SMILES | [Dy]1234(OC(=CC(=[O]1)c1cc5c(cc1)cccc5)C(F)(F)F)(OC(=CC(c1cc5ccccc5cc1)=[O]2)C(F)(F)F)([O]=C(c1ccc2c(c1)cccc2)C=C(O3)C(F)(F)F)[n]1c(cccc1)c1[n]4cccc1 |
Title of publication | Dysprosium(iii) complexes with a square-antiprism configuration featuring mononuclear single-molecule magnetic behaviours based on different β-diketonate ligands and auxiliary ligands. |
Authors of publication | Zhang, Sheng; Ke, Hongshan; Shi, Quan; Zhang, Jangwei; Yang, Qi; Wei, Qing; Xie, Gang; Wang, Wenyuan; Yang, Desuo; Chen, Sanping |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 12 |
Pages of publication | 5310 - 5320 |
a | 22.748 ± 0.006 Å |
b | 10.942 ± 0.003 Å |
c | 21.315 ± 0.005 Å |
α | 90° |
β | 108.438 ± 0.006° |
γ | 90° |
Cell volume | 5033 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.1265 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for significantly intense reflections | 0.1358 |
Weighted residual factors for all reflections included in the refinement | 0.1741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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