Abstract
The title compound, [Mn(C3H7NO)4(H2O)2][Cu5(C7H4NO3)4]·C3H7NO or cis-[Mn(H2O)2(DMF)4]{Cu[12-MCCu(II)N(shi)-4]}·DMF, where MC is metallacrown, shi3- is salicyl-hydroximate, and DMF is N,N-di-methyl-formamide, crystallizes in the monoclinic space group P21/n. Two crystallographically independent metallacrown anions are present in the structure, and both anions exhibit minor main mol-ecule disorder by an approximate (non-crystallographic) 180° rotation with occupancy ratios of 0.9010 (9) to 0.0990 (9) for one anion and 0.9497 (8) to 0.0503 (8) for the other. Each penta-copper(II) metallacrown contains four CuII ions in the MC ring and a CuII ion captured in the central cavity. Each CuII ion is four-coordinate with a square-planar geometry. The anionic {Cu[12-MCCu(II)N(shi)-4]}2- is charged-balanced by the presence of a cis-[Mn(H2O)2(DMF)4]2+ cation located in the lattice. In addition, the octa-hedral MnII counter-cation is hydrogen bonded to both MC anions via the coordinated water mol-ecules of the MnII ion. The water mol-ecules form hydrogen bonds with the phenolate and carbonyl oxygen atoms of the shi3- ligands of the MCs.
Highlights
Two crystallographically independent metallacrown anions are present in the structure, and both are located on crystallographic inversion centers with the central copper ions situated on the inversion center (Figs. 1 and 2)
In each MC, a copper ion is captured in the central cavity and surrounded by four copper ions of the MC ring
Consist of trans five- and six-membered chelate rings: each five-membered chelate ring is formed by the carbonyl oxygen atom and the oxime oxygen atom of a shi3À ligand, and each six-membered chelate ring is formed by the phenolate oxygen atom and oxime nitrogen atom of a different shi3À ligand
Summary
Pentacopper(II) 12-metallacrown-4 complexes are ubiquitous in metallacrown (MC) chemistry (Mezei et al, 2007; Tegoni & Remelli, 2012; Ostrowska et al, 2016). A survey of the Cambridge Structural Database (CSD version 5.41, update March 2020; Groom et al, 2016) reveals that there are 35 different structures; even more Cu5 12-MC-4 complexes have been studied in solution to understand the thermodynamic properties of their self-assembly (Mezei et al, 2007; Tegoni & Remelli, 2012; Ostrowska et al, 2016). We report the first use of a 3d metallic counter-cation to the pentacopper(II) metallacrown: cis-[Mn(H2O)2(DMF)4]{Cu[12-MCCu(II)N(shi)-4]}ÁDMF
Sign-in/Register to view highlights & summary Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Acta crystallographica. Section E, Crystallographic communications
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
