title: Crystal structure of trans-bis-(ethane-1,2-diamine-κ(2) N,N')bis-(thio-cyanato-κN)chromium(III) perchlorate from synchrotron data.
abstract: The structure of the title compound, [Cr(NCS)2(C2H8N2)2]ClO4, has been determined from synchroton data. The asymmetric unit consists of one half of a centrosymmetric Cr(III) complex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The Cr(III) ion is coordinated by the four N atoms of two ethane-1,2-di-amine (en) ligands in the equatorial plane and two N-bound thio-cyanate (NCS(-)) anions in a trans-axial arrangement, displaying a slightly distorted octa-hedral geometry with crystallographic inversion symmetry. The Cr-N(en) bond lengths are in the range 2.053 (16)-2.09 (2) Å, while the Cr-N(thio-cyanate) bond length is 1.983 (2) Å. The five-membered en rings are disordered over two sites, with occupancy ratios of 0.522 (16):0.478 (16). Each ClO4 (-) anion is disordered over two sites with equal occupancy. The crystal structure is stabilized by inter-molecular hydrogen bonds involving the en NH2 groups as donors and perchlorate O and thio-cyanate S atoms as acceptors.
authors.affiliation: Pohang Accelerator Laboratory, POSTECH, Pohang 790-784, Republic of Korea.
authors.forename: Dohyun
authors.initials: D
authors.lastname: Moon
authors.affiliation: Department of Chemistry, Andong National University, Andong 760-749, Republic of Korea.
authors.forename: Jong-Ha
authors.initials: JH
authors.lastname: Choi
keywords: chromium(III) complex; crystal structure; ethane-1,2-di­amine; hydrogen bonds; synchrotron radiation; thio­cyanate; trans-geometry