Information card for entry 7710756
| Formula |
C40 H42 Mg2 N6 S6 |
| Calculated formula |
C40 H42 Mg2 N6 S6 |
| Title of publication |
Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand |
| Authors of publication |
Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2022 |
| a |
12.1983 ± 0.0006 Å |
| b |
12.2683 ± 0.0008 Å |
| c |
14.8689 ± 0.001 Å |
| α |
87.806 ± 0.005° |
| β |
76.581 ± 0.005° |
| γ |
79.929 ± 0.005° |
| Cell volume |
2131.1 ± 0.2 Å3 |
| Cell temperature |
99.9 ± 0.2 K |
| Ambient diffraction temperature |
99.9 ± 0.2 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 |
0.1297 |
| Residual factor for significantly intense reflections |
0.0749 |
| Weighted residual factors for significantly intense reflections |
0.111 |
| Weighted residual factors for all reflections included in the refinement |
0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.06 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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