Abstract

The asymmetric unit of the title compound, (NH4)2[Ni(C2H6N4O2)3]2[Cr(C2O4)3]2·6.76H2O, comprises two NH4 + cations, two [Ni(C2H6N4O2)3]2+ cations and two [Cr(C2O4)3]3- anions, as well as eight water mol-ecules of crystallization of which only one is fully occupied. In the cationic and anionic complexes, the central atoms (NiII and CrIII) are each surrounded by three bidentate ligands (N-chelating oxamide dioxime and O-chelating oxalate, respectively), resulting in distorted octa-hedral coordination spheres. In the crystal, O-H⋯O hydrogen bonds between the oxamide dioxime ligands as donor groups and the oxalate ligands as acceptor groups alternately connect the cationic and anionic complexes into infinite pillars extending parallel to [100]. Moreover, N-H⋯O hydrogen bonds between the same ligands connect neighboring pillars, thus delineating channels that accommodate the charge-balancing NH4 + cations as well as the water mol-ecules of crystallization. Although the H atoms could not be localized for these two species, the corresponding N⋯O and O⋯O distances indicate hydrogen bonds of medium strength.

Highlights

  • The asymmetric unit of the title compound, (NH4)2[Ni(C2H6N4O2)3]2[Cr(C2O4)3]2Á6.76H2O, comprises two NH4+ cations, two [Ni(C2H6N4O2)3]2+ cations and two [Cr(C2O4)3]3– anions, as well as eight water molecules of crystallization of which only one is fully occupied

  • In the cationic and anionic complexes, the central atoms (NiII and CrIII) are each surrounded by three bidentate ligands (N-chelating oxamide dioxime and O-chelating oxalate, respectively), resulting in distorted octahedral coordination spheres

  • O—HÁ Á ÁO hydrogen bonds between the oxamide dioxime ligands as donor groups and the oxalate ligands as acceptor groups alternately connect the cationic and anionic complexes into infinite pillars extending parallel to [100]

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Summary

Chemical context

Tris(oxalato)metallate(III) complex anions, [MIII(C2O4)3]3–, are versatile building blocks for the design of new moleculebased materials with interesting magnetic, electrical and optical properties (Coronado et al, 2000). When [MIII(C2O4)3]3– anions are combined with triply charged tris-bidentate complex cations of D3 symmetry in which the ligating atoms are all bonded to H atoms or OH groups, they build infinite neutral pillars of alternating complex cations and anions that leave channels in the structure (Belombeet al., 2009; Hua et al, 2001; Kuroda, 1991). E76, 1732–1736 research communications forcing additional species into the channels would be by designing compounds with charged, instead of neutral, pillars. In this way, the charge-balancing species could only reside in the channels. The charge-balancing species could only reside in the channels This strategy proved successful by combining tris(oxalato)chromate(III) anions, [Cr(C2O4)3]3–, with tris(oxamide dioxime)nickel(II) cations, [Ni(C2H6N4O2)3]2+, the charge-balancing species being K+ and H3O+ (Mbiangueet al., 2012). Ni1—N2 Ni1—N6 Ni1—N5 Ni1—N9 Ni1—N1 Ni1—N10 Ni2—N13 Ni2—N17 Ni2—N14 Ni2—N21 Ni2—N18 Ni2—N22

Structural commentary
Supramolecular features
Database survey
Synthesis and crystallization
Refinement

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