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. 2021 Mar 1;12(14):5134–5142. doi: 10.1039/d1sc00647a

Exchange interactions (J) and axial zero-field splitting (D) parameters for 1–8 derived from a simultaneous fit of the susceptibility and magnetisation data employing spin-Hamiltonian (1).

J (cm−1) |D| (cm−1)
1 J Ni–Ni = −0.078 (no MX4 guest – fixed for 2–8) |DNi| = 1.575 (no MX4 guest – fixed for 2–8)
2 J Ni–Mn = −0.041 Neglected for MnII
3 J Ni–Fe = −0.068 Neglected for FeIII
4 J Ni–Fe = −0.084 Neglected for FeIII
5 J Ni–Co = −0.005 |DCo| = 2.37
6 J Ni–Co = −0.001 |DCo| = 6.30
7 JNiNi = −0.476 |DNi| = 85.5
8 J Ni–Cu = −0.062 Neglected for CuII