Crystal structure of calcium [aqua(nitrilotriacetatocobaltate(II)] tetrahydrate, Ca[Co(Nta)(H2O)]2 • 4H2O

Crystals of Ca[Co-II(Nta)](2). 6H(2)O (I), where Nta(3-) is a nitrilotriacetate ion, were synthesized and studied using X-ray diffraction analysis. They were found to be monoclinic: a = 6.991(1), b = 10.03 1(1), c = 16.238(3) Angstrom, beta = 98.50(1)degrees, V= 1126.2(3) Angstrom (3), space group P2(1)/n, Z = 2, R-1 = 0.0241, wR(2) = 0.0636, GOOF = 1.050 (for 3132 reflections with I > 2 sigma (I)). Structure I is composed of ([Co(Nta)(H2O)](-))(I infinity), anion chains united by Ca2+ cations into a three-dimensional framework. The coordination polyhedra of Co and Ca atoms are distorted octahedra. The Co(II) atom environment includes atoms N(1), O(1), O(3), and O(5) of one Nta(3-) ligand, a carbonyl O(2)' atom of the neighboring anion fragment, and an O(w1) atom of the water molecule. The shortest bond is formed by the Co atom with the bridging O(2)' atom in trans-position relative to atom N(1). The Co-O(2)' distance (2.029 Angstrom) is noticeably shorter than the other bond lengths, Co-O(Nta) (2.069-2.103 Angstrom), Co-O(w1), and Co-N(1) (2.155 and 2.177 Angstrom, respectively). Cations Ca2+ are located in the inversion centers and involve in their coordination atoms O(4), O(6), O(w2), and the oxygen atoms symmetrically bond to them and arranged at 2.271(1), 2.420(1), and 2.351(2) A, respectively. The structural formula of the title compound is {Ca(H2O)(2)[Co(Nta)(H2O)](2)}(3 infinity) . 2H(2)O.