Crystal structure of trans-bis­(ethane-1,2-diamine-κ2N,N′)bis­(thio­cyanato-κN)chromium(III) perchlorate from synchrotron data

Acta Crystallographica Section E: Crystallographic Communications

Choi, J.-H.¹  Moon, D.² 

[1] Department of Chemistry, Andong National University, Andong 760-749, Republic of Korea;Pohang Accelerator Laboratory, POSTECH, Pohang 790-784, Republic of Korea

关键词: CRYSTAL STRUCTURE;    SYNCHROTRON RADIATION;    ETHANE-1,2-DIAMINE;    THIOCYANATE;    TRANS-GEOMETRY;    CHROMIUM(III) COMPLEX;    HYDROGEN BONDS;   

DOI  :  10.1107/S2056989015009184

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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 CrIII complex cation and half of a perchlorate anion with the Cl atom on a twofold rotation axis. The CrIII ion is coordinated by the four N atoms of two ethane-1,2-di­amine (en) ligands in the equatorial plane and two N-bound thio­cyanate (NCS−) anions in a trans-axial arrangement, displaying a slightly distorted octa­hedral 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(thio­cyanate) 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 inter­molecular hydrogen bonds involving the en NH2 groups as donors and perchlorate O and thio­cyanate S atoms as acceptors.

【 授权许可】

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