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Information card for entry 7223535
Preview
Coordinates | 7223535.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H84 Dy N3 Ni O9 S4 |
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Calculated formula | C72 H84 Dy N3 Ni O9 S4 |
SMILES | [Dy]1234([O]5[Ni]6789[N](CC(C)(C[N]6=Cc6ccccc6O9)C[N]7=Cc6c5cccc6)=Cc5ccccc5[O]18)([O](C)c1c5Sc6c(O2)c(Sc2c([O]4C)c(Sc4c(O3)c(Sc1cc(c5)C(C)(C)C)cc(C(C)(C)C)c4)cc(C(C)(C)C)c2)cc(C(C)(C)C)c6)[OH]C.O=C(C)C |
Title of publication | Thiacalix[4]arene-supported heterodinuclear NiII-LnIII complexes: slow magnetic relaxation behavior in dysprosium analogue |
Authors of publication | Ge, Jing-Yuan; Xie, Jia-Ze; Zhao, Zhuang-Yu; Ru, Jing; Song, You; Zuo, Jing-Lin |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
a | 11.7432 ± 0.0011 Å |
b | 17.4859 ± 0.0017 Å |
c | 18.8642 ± 0.0018 Å |
α | 72.285 ± 0.001° |
β | 79.414 ± 0.001° |
γ | 77.774 ± 0.002° |
Cell volume | 3576.5 ± 0.6 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 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 | 0.0417 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections included in the refinement | 0.1094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7223535.html
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Users of the data should acknowledge the original authors of the
structural data.