Crystal structure of 1,4,8,11-tetra-azonia-cyclo-tetra-decane bis-(dichromate) monohydrate from synchrotron data

根据同步加速器数据得到的 1,4,8,11-四氮杂环十四烷双(重铬酸盐)一水合物的晶体结构

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作者:Dohyun Moon, Jong-Ha Choi

Abstract

The asymmetric unit of the hydrated title salt, (C10H28N4)[Cr2O7]2·H2O [C10H28N4 = H4(cyclam) = 1,4,8,11-tetra-azonia-cyclo-tetra-deca-ne], contains two half-cations (both completed by crystallographic inversion symmetry), two dichromate anions and one water mol-ecule. The two [CrO7]2- anions exhibit a nearly staggered conformation, with bridging angles of 133.37 (11) and 136.28 (12)°. The distortions of the dichromate anions are due to their participation in hydrogen-bonding inter-actions with the water mol-ecule and the cations. Inter-molecular hydrogen bonds involving the cyclam N-H groups and water O-H groups as donor groups, and the O atoms of the dichromate anions as acceptor groups give rise to a three-dimensional network.

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