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Information card for entry 1564057
Preview
Coordinates | 1564057.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H41 Cu Dy F30 N6 O16 |
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Calculated formula | C51 H41 Cu Dy F30 N6 O16 |
SMILES | [Dy]123([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)(ON3C(=N(=O)C(C3(C)C)(C)C)c3c[n]([Cu]45(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)[n]4cc(OC)cc(c4)C4N(O[Dy]567([O]=C(C=C(O7)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)(OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)ON5C(=N(=O)C(C5(C)C)(C)C)c5c[n]([Cu]67(OC(=CC(=[O]7)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)cc(OC)c5)C(C(N=4=O)(C)C)(C)C)cc(OC)c3)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)ON1C(=N(=O)C(C1(C)C)(C)C)c1cncc(OC)c1 |
Title of publication | Structure changes from radical-3d ring dimer to radical-3d-4f 1D chain with different magnetic properties |
Authors of publication | Hu, Peng; Wu, Yan-Ni; Zhao, Yan-Hua; Cao, Jiang-Fei; Lai, Jia-Long; Ma, Dan-Yu; Zhu, Li-Li; Xiao, Feng-Ping |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 512 |
Pages of publication | 119867 |
a | 30.582 ± 0.002 Å |
b | 10.425 ± 0.0007 Å |
c | 22.2316 ± 0.0016 Å |
α | 90° |
β | 109.007 ± 0.002° |
γ | 90° |
Cell volume | 6701.4 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0446 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.1219 |
Weighted residual factors for all reflections included in the refinement | 0.1308 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1564057.html
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