Crystal structure of [Ni(OH2)6]Cl2·(18-crown-6)2·2H2O

Acta Crystallogr E Crystallogr Commun. 2024 Oct 24;80(Pt 11):1190-1193. doi: 10.1107/S2056989024010041. eCollection 2024 Oct 1.

Abstract

The crystal structure of the title compound, hexa-aqua-nickel(II) dichloride-1,4,7,10,13,16-hexa-oxa-cyclo-octa-deca-ne-water (1/2/2), [Ni(H2O)6]Cl2·2C12H24O6·2H2O, is reported. The asymmetric unit contains half of the Ni(OH2)6 moiety with a formula of C12H32ClNi0.50O10 at 105 K and triclinic (P1) symmetry. The [Ni(OH2)6]2+ cation has close to ideal octa-hedral geometry with O-Ni-O bond angles that are within 3° of idealized values. The supra-molecular structure includes hydrogen bonding between the water ligands, 18-crown-6 mol-ecules, Cl- anions, and co-crystallized water solvent. Two crown ether mol-ecules flank the [Ni(OH2)6]2+ mol-ecule at the axial positions in a sandwich-like structure. The relatively symmetric hydrogen-bonding network is enabled by small Cl- counter-ions and likely influences the more idealized octa-hedral geometry of [Ni(OH2)6]2+.

Keywords: 18-crown-6; Ni(II); crown ether; crystal structure; nickel.

Grants and funding

Funding for this research was provided by: National Science Foundation, Directorate for Mathematical and Physical Sciences (award No. 1847926 to S. Chantal E. Stieber; award No. 1040566); Camille and Henry Dreyfus Foundation (award to S. Chantal E. Stieber); US Department of Defense, US Army (award No. W911NF-17-1-0537 to S. Chantal E. Stieber).