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Information card for entry 7242535
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| Coordinates | 7242535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Mn3]2ppmd |
|---|---|
| Formula | C93 H93 Cl26 Mn6 N15 O28 |
| Calculated formula | C87 H81 Cl14 Mn6 N15 O27.9998 |
| Title of publication | Exchange-biased Quantum Tunnelling of Magnetization in a [Mn3]2 Dimer of Single-Molecule Magnets with Rare Ferromagnetic Inter-Mn3 Coupling |
| Authors of publication | Christou, George; Wernsdorfer, Wolfgang; Ghosh, Tuhin; Abboud, Khalil A.; Marbey, Jonathan; Hill, Stephen |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2021 |
| a | 16.7906 ± 0.0007 Å |
| b | 16.7906 ± 0.0007 Å |
| c | 24.3807 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 5952.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 163 |
| Hermann-Mauguin space group symbol | P -3 1 c |
| Hall space group symbol | -P 3 2c |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1037 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263349 (current) | 2021-03-26 | cif/ Adding structures of 7242535 via cif-deposit CGI script. |
7242535.cif |
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