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Open Access Crystal structure of cis-aquachlorido(rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III) tetrachloridozincate trihydrate from synchrotron data

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The structure of the title compound, cis-[CrCl(cycb)(H2O)][ZnCl4]·3H2O (cycb is rac-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane; C16H36N4), has been determined from synchrotron data. In the complex cation, the CrIII ion is bound by four N atoms from the tetradentate cycb ligand, a chloride ion and one water molecule in a cis arrangement, displaying a distorted octahedral coordination geometry. The distorted tetrahedral [ZnCl4]2− anion and three additional water molecules remain outside the coordination sphere. The Cr—N(cycb) bond lengths are in the range of 2.0837 (14) to 2.1399 (12) Å while the Cr—Cl and Cr—(OH2) bond lengths are 2.2940 (8) and 2.0082 (13) Å, respectively. The crystal packing is stabilized by hydrogen-bonding interactions between the N—H groups of the macrocyclic ligand, the O—H groups of the water molecules and the Cl atoms of the tetrachloridozincate anion, leading to the formation of a three-dimensional network.
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Document Type: Research Article

Affiliations: 1: Pohang Accelerator Laboratory, POSTECH, Pohang 37673, Republic of Korea 2: Department of Chemistry, Andong National University, Andong 36729, Republic of Korea

Publication date: January 1, 2015

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