Di-μ-acetato-bis(dimethylformamide)pentakis(μ-N,2-dioxidobenzene-1-carboximidato)tetrakis(1-ethylimidazole)pentamanganese(III)manganese(II)–diethyl ether–dimethylforamide–methanol–water (1/1/1/1/0.12)

Abstract

Key indicators: single-crystal X-ray study; T = 100 K; mean (C-C) = 0.007 Å; disorder in solvent or counterion; R factor = 0.059; wR factor = 0.148; data-toparameter ratio = 16.4.The title compound [Mn 6 (C 7 ExperimentalCrystal data

μ3-Acetato-μ2-acetato-(dimethylformamide)pentakis(μ-N,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1H-imidazole)pentamanganese(III)manganese(II)–diethyl ether–dimethylformamide–methanol–water (1/1/1/1/0.49)

“…For related manganese and vanadium metallacrown structures, see: Lah & Pecoraro (1989) and , respectively. For related Mn(II)[15-MC Mn(III)N(shi) -5)] structures and synthetic procedures, see: Kessissoglou et al (1994), Dendrinou-Samara et al (2001, 2002, 2005; Emerich et al (2010); Tigyer et al (2011Tigyer et al ( , 2012. For an explanation on how to calculate the s/h ratio, see: Stiefel & Brown (1972).…”

Pentakis(μ3-N,2-dioxidobenzene-1-carboximidato)di-μ2-formato-pentakis(1H-imidazole)methanolpentamanganese(III)manganese(II)–methanol–water (1/3.36/0.65)

“…For a general review of metallacrowns, see: Mezei et al (2007). For related Mn(II)[15-MC Mn(III)N(shi) -5)] structures and related synthetic procedures, see: Kessissoglou et al (1994); Dendrinou-Samara et al (2001, 2002, 2005; Emerich et al (2010); Tigyer et al (2011). For an explanation on how to calculate , see: Addison et al (1984).…”

“…The family of manganese-based 15-MC-5 complexes, which consists of a 15 membered ring with a -[Mn(III)-N-O] 5 -repeat unit and a central Mn(II) ion, have shown better antibacterial activity than simple manganese-herbicide complexes (Dendrinou-Samara et al, 2002, 2005). The first few Mn-based 15-MC-5 complexes were made with pyridine molecules bound to the structure (Kessissoglou et al, 1994;Dendrinou-Samara et al, 2001, 2002, 2005; however, it has recently been shown that imidazole can also be used to produce a Mn-based 15-MC-5 complex (Emerich et al, 2010;Tigyer et al 2011).…”

“…To calculate the Φ angle, the centroids of opposite triangular faces made by the donor oxygen atoms (O1, O13, and O18; O7, O10, and O16) were defined using the program Mercury (Macrae et al, 2006), and then twist angles between atoms on opposite faces through the centroids were calculated. [A similar method was used to calculate the Φ angle in a related 15-MC-5 structure (Tigyer et al, 2011).] The estimated Φ angles of 5.90°, 13.17°, and 20.93° indicate that the geometry approaches that of a face-capped trigonal prism though the angle of 20.93° is significantly large (Fig.…”

“…3 d-e). In previous Mn(II)[15-MC Mn(III) -5] structures, the coordination spheres of the Mn ions had been completed by forming bonds to the oxygen atoms of the carboxylate anions (Kessissoglou et al, 1994;Dendrinou-Samara et al, 2001, 2002, 2005Emerich et al, 2010;and Tigyer et al, 2011); however, in 1 these bonds do not exist. The geometry about Mn2, Mn5, and Mn6 is best described as a distorted octahedron (Fig.…”