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Information card for entry 7020540
Preview
Coordinates | 7020540.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H29 F9 Gd N4 O8 |
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Calculated formula | C29 H29 F9 Gd N4 O8 |
SMILES | [Gd]1234(OC(=CC(C(F)(F)F)=[O]2)C)([n]2c([nH]c5c2cccc5)C2[N](=[O]1)C(C(N=2=O)(C)C)(C)C)([O]=C(C(F)(F)F)C=C(C)O4)[O]=C(C(F)(F)F)C=C(C)O3 |
Title of publication | Single-molecule magnets based on rare earth complexes with chelating benzimidazole-substituted nitronyl nitroxide radicals. |
Authors of publication | Hu, Peng; Zhu, Mei; Mei, Xuelan; Tian, Haixia; Ma, Yue; Li, Licun; Liao, Daizheng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 48 |
Pages of publication | 14651 - 14656 |
a | 19.537 ± 0.003 Å |
b | 21.367 ± 0.004 Å |
c | 16.256 ± 0.003 Å |
α | 90° |
β | 91.077 ± 0.002° |
γ | 90° |
Cell volume | 6785 ± 2 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1462 |
Weighted residual factors for all reflections included in the refinement | 0.1493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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