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Information card for entry 7120398
Preview
| Coordinates | 7120398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H63 Cl7 N16 Ni4 O8.5 |
|---|---|
| Calculated formula | C34 H63 Cl7 N16 Ni4 O8.5 |
| Title of publication | Strong ferromagnetic exchange coupling in a {NiII4} cluster mediated through an air-stable tetrazine-based radical anion |
| Authors of publication | Lemes, Maykon; Brunet, Gabriel; Pialat, Amelie; Ungur, Liviu; Korobkov, Ilia; Murugesu, Muralee |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 11.7191 ± 0.0004 Å |
| b | 23.4564 ± 0.0007 Å |
| c | 21.6135 ± 0.0007 Å |
| α | 90° |
| β | 91.4944 ± 0.0014° |
| γ | 90° |
| Cell volume | 5939.3 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198560 (current) | 2017-07-08 | cif/ Adding structures of 7120398 via cif-deposit CGI script. |
7120398.cif |
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