Fluorreiche Oxofluorovanadate(V): Die Kristallstruktur von [enH₂][VOF₅]. / Fluorine-Rich Oxofluorovanadates(V): Crystal Structure of [enH₂][VOF₅]

Crystal structure and Hirshfeld surface analysis of 4,4′-(propane-1,3-diyl)bis(4H-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)

“…The central ion deviates from the centroid of its six ligand atoms by d = 0.242 Å towards the O-vertex. This is reminiscent of the geometrical features of the [VOF 5 ] 2À anions in the salts with (H 2 bipy) 2+ (d = 0.268 Å ; Gautier et al, 2015) and (H 2 En) 2+ cations (d = 0.272 Å ; Rieskamp & Mattes, 1976).…”

“…Welk et al (2000) noted the very weak O-coordinating ability of the [VOF 5 ] 2À anions serving as F-donor ligands only but the hydrogen-bond acceptor ability of the O atoms is less addressed. Distal interactions of the C-HÁ Á ÁO type are relevant to the structure of (H 2 bipy) [VOF 5 ] (bipy is 4,4 0 -bipyridine; Gautier et al, 2015), but surprisingly, no hydrogen bonding at all was ISSN 2056-9890 observed for the O atoms in (H 2 En) [VOF 5 ] (En is ethylenediamine; Rieskamp & Mattes, 1976). In addition, the possible competitiveness of the O atoms with respect to other weak hydrogen-bond acceptors does not appear to have been considered so far.…”

Reactivity of VOF3 with N-Heterocyclic Carbene and Imidazolium Fluoride: Analysis of Ligand–VOF3 Bonding with Evidence of a Minute π Back-Donation of Fluoride

“…55 However, the elongated V−F trans bond could be due to crystal packing effects rather than electron donating nature of the C NHC atom of the L Dipp ligand, which we will show in the Computational Crystal Structure Results section (below). As for the orientation of the VOF 3 fragment, the axis linking two F cis atoms is almost perpendicular to the plane of the NHC ring and these fluorine atoms are bent toward the L Dipp ligand with the C2−V1−F angle being 82.79(6)°and 82.48 (6)°for F1 and F3, respectively. Bending of the cis-atoms toward the NHC ligand was also observed in the previously published neutral square pyramidal VOCl 3 complex with L IMes = 1,3-bis(2,4,6-trimethylphenyl)-1,3dihydro-2H-imidazol-2-ylidene (C1−V1−Cl1 81.04(6)°and C1−V1−Cl3 82.20(6)°).…”

Cu(C10H9N3)2MOF5·2H2O (M = Nb, Ta): Aligned [MOF5]2- Oxide Fluoride Anions

“…The polar distortion in the [NbO 6/2 ] - octahedra of LiNbO 3 has been postulated to be the origin of the large nonlinear optical (NLO) response of this inorganic oxide. , This out of center tetragonal distortion is mimicked by oxide fluoride anions, MOF 5 2- (M = V, , Nb, − Ta) (Figure ). Unlike the distortions in [NbO 6/2 ] - , however, those in the oxide fluorides are inherent to the anion and not a product of a phase transition.…”