Crystal structure of a one-dimensional coordination polymer of gadolinium dibromoacetate with 4,4'-bipyridine

Abstract

A new gadolinium(III) complex with 4,4’-bipyridine (4-bpy) and dibromoacetate ligand of general formula [Gd(4-bpy)(CBr2HCOO)3(H2O)]n, has been synthesized, crystallized and characterized by a single-crystal X-ray diffraction analysis. The gadolinium atom has an unsymmetrical eight-coordinate geometry, being coordinated by six oxygen atoms of dibromoacetate anions, one nitrogen atom of 4-bpy and one water molecule. The complex is a one-dimensional polymer as a result of dibromoacetate ligand bridging with the repeating monomeric units. There are π...π stacking interactions between the 4-bpy rings as well as O–H...O and O–H...N hydrogen bonds. Crystal Data for C16H13Br6GdN2O7 (Mw = 981.99 g/mol): triclinic, space group P-1 (no. 2), a = 9.7368(4) Å, b = 11.5416(4) Å, c = 11.7634(4) Å, α = 104.2750(10)°, β = 94.060(2)°, γ = 92.6900(10)°, V = 1275.08(8) Å3, Z = 2, T = 90 K, μ(CuKα) = 28.190 mm-1, Dcalc = 2.558 g/cm3, 8399 reflections measured (7.782° ≤ 2Θ ≤ 133.18°), 4006 unique (Rint = 0.0409, Rsigma = 0.0639) which were used in all calculations. The final R1 was 0.0527 (I > 2σ(I)) and wR2 was 0.1396 (all data).

Synthesis, Spectroscopic, Thermal and Catalytic Properties of Four New Metal (II) Complexes with Selected N- and O-Donor Ligands

“…The second ligand has carboxylate group which can create different types of binding with metal ions [ 9 , 10 ]. It often acts as bidentate ligand, through electron pairs of two oxygen atoms in its molecule [ 11 , 12 , 13 ]. In addition, it is used in various industries and in chemical synthesis for the production of other important chemicals.…”

Crystal Structures, Hirshfeld Surfaces, and Thermal Study of Isostructural Polymeric Ladders of La(III) and Sm(III) Coordination Compounds with 4,4’-Bipyridine and Dibromoacetates

“…In this paper, we present synthesis, thermal properties, and crystal structures of two 4,4′-bipyridine coordination polymers with lanthanum (III) and samarium (III) dibromoacetates. Our previous papers have covered crystal structures of similar compounds [ 36 , 37 , 38 ]. Both ligands that we used are unique chemical compounds due to their possible ways of forming coordination bonds towards metal ions.…”

“…This molecule may coordinate as a bridging N-donor ligand, thus, increasing the possibility of obtaining a coordination polymer. Another ligand coordinates through the carboxylate group, which can bind to metal ions in different ways and also may create polymeric structures [ 36 , 37 , 38 ]. This work is a continuation of our research concerning lanthanide coordination polymers with selected N-donor and O-donor ligands.…”