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Information card for entry 4349807
Preview
| Coordinates | 4349807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H20 N9 O10 Yb |
|---|---|
| Calculated formula | C14 H20 N9 O10 Yb |
| SMILES | [Yb]1234([n]5ccccc5N(C)[N]1=Cc1n(C)cc[n]21)(ON(=[O]3)=O)(ON(=[O]4)=O)(ON(=O)=O)[OH]C.N#CC |
| Title of publication | New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold |
| Authors of publication | Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | 605 |
| a | 8.1752 ± 0.0005 Å |
| b | 11.5352 ± 0.0009 Å |
| c | 13.1045 ± 0.001 Å |
| α | 66.989 ± 0.007° |
| β | 72.978 ± 0.006° |
| γ | 85.535 ± 0.005° |
| Cell volume | 1086.69 ± 0.15 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.39 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4349807.cif |
| 235850 | 2019-11-24 | cif/ Adding structures of 4349806, 4349807, 4349808, 4349809 via cif-deposit CGI script. |
4349807.cif |
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Users of the data should acknowledge the original authors of the
structural data.