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Information card for entry 7043874
Preview
Coordinates | 7043874.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H21 N2 O8 Yb |
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Calculated formula | C15 H21 N2 O8 Yb |
SMILES | [Yb]123(OC(=CC(=[O]1)C)C)([O]=C(C)C=C(O2)C)(OC(=O)c1[n]3ccnc1)([OH2])[OH2] |
Title of publication | Novel mononuclear Ln complexes with pyrazine-2-carboxylate and acetylacetonate co-ligands: remarkable Single Molecule Magnet behavior of Yb derivative |
Authors of publication | Gavrikov, Andrey Vyacheslavovich; Efimov, Nikolay; Dobrohotova, Zhanna; Ilyukhin, Andrey Borisovich; Vasilyev, Pavel Nikolaevich; Novotortsev, Vladimir M. |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 7.736 ± 0.0007 Å |
b | 29.71 ± 0.002 Å |
c | 8.2611 ± 0.0007 Å |
α | 90° |
β | 105.765 ± 0.002° |
γ | 90° |
Cell volume | 1827.3 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0507 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0785 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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