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The CaII ion of the title complex, [Cu(SCN)(C8H20N4)]2[Ca(NCS)4(H2O)2].2H2O, is situated at an inversion center. The coordination geometry around the CuII ion is a symmetrical square pyramid with the tetraamine N atoms equatorial and thiocyanato S atom axial. The four donor N atoms of the macrocyclic ligand form a buckled plane, the CuII ion lies 0.553 (1) Å out of this plane towards the thiocyanato group. The hydrogen bonds between water molecules and thiocyanato groups help stabilize the crystal structure. A water molecule binds the CuII complex and the CaII complex together through hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks global, sk1074

hkl

Structure factor file (CIF format)
Supplementary material

CCDC reference: 129347

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