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Information card for entry 7064402
Preview
| Coordinates | 7064402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H66 Dy4 N8 O22 |
|---|---|
| Calculated formula | C66 H66 Dy4 N8 O22 |
| Title of publication | Experimental and theoretical insights into two tri- and tetranuclear DyIII SMMs reveal the unusual superiority of triangular dodecahedral DyIII over square antiprismatic DyIII as an SIM centre |
| Authors of publication | Pramanik, Abhishek; Mandal, Shuvankar; Borgohain, Parismita; Martins, Daniel O. T. A.; Sparkes, Hazel A.; Tuna, Floriana; Singh, Saurabh Kumar; Mohanta, Sasankasekhar |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 15 |
| Pages of publication | 6330 - 6346 |
| a | 12.87 ± 0.002 Å |
| b | 15.06 ± 0.003 Å |
| c | 18.148 ± 0.003 Å |
| α | 90° |
| β | 102.123 ± 0.002° |
| γ | 90° |
| Cell volume | 3439 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0654 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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