Crystal structure of the Ba^II-based Co^II-containing one-dimensional coordination polymer poly[[aqua{μ₄-2,2′-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylidene)]bis(4-oxo-4H-pyran-3-olato)}perchloratocobaltbarium] perchlorate]

Abstract

Supporting information: this article has supporting information at journals.iucr.org/eCrystal structure of the Ba II -based Co II -containing one-dimensional coordination polymer poly [[aqua{l 4 -2,2 0 0 0 - [(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl) À anions are located in the space between the chains. Weak C-HÁ Á ÁO hydrogen bonds involving both coordinating and non-coordinating perchlorate anions build the whole crystal architecture. To our knowledge, this is the first example of a macrocyclic ligand forming a Ba II -based one-dimensional coordination polymer, containing Co II ions surrounded by a N 4 O 2 donor set. Chemical contextMetal coordination polymers (CPs) have witnessed continuous growth, owing to their fascinating structural diversity in terms of architecture and topology and also their numerous potential applications, such as gas storage (Banerjee et al., 2016;Fracaroli et al., 2014;Sumida et al., 2012;Suh et al., 2012), chemical sensing (Campbell et al., 2015;Hu et al., 2014;Wang et al., 2013;Kreno et al., 2012), catalysis (Chughtai et al., 2015;Mo et al., 2014;Yoon et al., 2012;Liu, Xuan et al., 2010) and so forth. Recently, the interest in alkaline-earth metal ion-based CPs has been growing due to their unusual advantages such as low toxicity, wide distribution and low cost, which are of benefit for applications in the field of materials science (Raja et al., 2014;Foo et al., 2012Foo et al., , 2013Xiao et al., 2012 earth metal-based CPs are less common compared to the reported transition metal and rare-earth metal CPs (Cai et al., 2017). Indeed, the study of alkaline-earth-metal systems is limited by challenges in the synthesis (Lian et al., 2016;Douvali et al., 2015;Mali et al., 2015;Chakraborty et al., 2014;Zhang, Huang et al., 2012;Liu, Tsao et al., 2010), the main reason being the variable coordination numbers (the most preferred coordination numbers are six for magnesium, six to eight for calcium, and six to twelve for strontium and barium), which lead to uncontrolled coordination geometries around the metal centre (Cai et al., 2016;Feng et al., 2015;Shi et al., 2015;Zheng et al., 2015;Jia et al., 2014;Zhang, Yuan et al., 2013;Smith et al., 2013;Zhai et al., 2013 Besides, the ability of a system to bind alkaline-earth metal ions in aqueous solution is highly desirable and can be achieved thanks to the presence of oxygenated ligands and the preorganization of the receptor, which satisfies the need for a high coordination number without specific coordination requirements.Ligand L1 {4,10-bis[(3-hydroxy-4-pyron-2-yl)methyl]-1,7-dimethyl-1,4,7,10-tetraazacyclododecane} is a Maltol-based macrocycle (Amatori et al., 2012) II heterodinuclear metal coordination compound of L1, where a one-dimensional wave-like infinite array of barium ions bridges the [Co(H -2 L1)] moieties through a barium-2 -oxygen motif. This is the first time that L1 has proven able to form a coordination polymer and, to our knowledge, this is the first example of a macrocyclic ligand forming a Ba II -based 1D-C...

Crystal structure of bis{μ2-2,2′-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylene)]bis(4-oxo-4H-pyran-3-olato)}dicobaltcalcium bis(perchlorate) 1.36-hydrate

“…Ligand L1 {4,10-bis[(3-hydroxy-4-pyron-2-yl)methyl]-1,7dimethyl-1,4,7,10-tetraazacyclododecane} is a Maltol-based macrocycle (Amatori et al, 2012) capable of forming a mononuclear Co II species where both side-arms are forced by the transition metal ion to move and locate on the same part with respect to the macrocyclic plane (Borgogelli et al, 2013). Such a cobalt-driven preorganization allows the formation of an electron-rich area formed by the four converging oxygen atoms of the two maltolate functions of L1, suitable to host hard metal ions such as Ln III (Ln = Gd, Eu; Benelli et al, 2013;Rossi et al, 2017), Na I (Borgogelli et al, 2013) and Ba II (Paoli et al, 2017). The resulting heteropolynuclear systems differ in the number of the complexes involved in the coordination, depending on the nature of the hard cation.…”

“…2, left). The cobalt ion is displaced 1.064 1 Benelli et al, 2013;Borgogelli et al, 2013;Rossi et al, 2017;Paoli et al, 2017].…”