DATASET for 'Dodecanuclear [NiII8Ln4] clusters and rings of corner-sharing {NiII2Ln2} cubanes (Ln = Dy, Gd, Y}; Magnetic and Magnetothermal properties'

[Description of methods used for collection/generation of data] Magnetisation data were collected on MPMS-XL and MPMS3 SQUID magnetometers equipped with 5 and 7 T magnets, respectively. Diamagnetic corrections were applied using Pascal's constants. Heat capacity measurements were carried out on a PPMS equipped with a 9 T magnet and a 3He cryostat, using a thin pressed pellet (ca. 1 mg) of a polycrystalline sample of 2, thermalized by ca. 0.2 mg of Apiezon N grease, whose contribution was subtracted using a phenomenological expression.
[Methods for processing the data] An indirect estimation of DS and DT was performed in accordance with standard thermodynamic formulations.

The solvothermal reaction of NiCl2.6H2O with 1,3,5-tri(2-hydroxyethyl)-1,3,5-triazacyclohexane, LH3, and Ln(OAc)3.4H2O in the presence of salicylaldehyde in MeOH leads to the formation of the dodecanuclear isostructural species [NiII8Ln4(L’)8(OAc)4(OH)8(H2O)4].xH2O (Ln= Dy, x=6 (1); Gd, x= 24 (2); Y, x= 10 (3); L’ = the dianion of the Schiff-base resulting from the reaction of salicylaldehyde and ethanolamine). The metallic core of the clusters describes a ring a of corner-sharing {Ni2Ln2} cubanes assembled on a central, planar rectangular {Ln4} unit. Magnetization studies conducted on complexes 1 - 3 demonstrate the presence of dominant ferromagnetic exchange at low temperatures, which is largely attributed to the Ni⋯Ni interactions. The significant magnetocaloric effect observed in the Gd analogue has been assessed through heat-capacity and magnetization measurements.

Thomais, T., Agapaki, E., Charkiolakis, E. N., Gracia, D., Ubach I Cervera, M., Dalgarno, S., Evangelisti, M., Brechin, E., & Milios, C. (2025). DATASET for 'Dodecanuclear [NiII8Ln4] clusters and rings of corner-sharing {NiII2Ln2} cubanes (Ln = Dy, Gd, Y}; Magnetic and Magnetothermal properties' [Data set]. Zenodo. https://doi.org/10.20350/digitalCSIC/17066