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.
Highlights
[C10H28N4 = H4(cyclam) = 1,4,8,11-tetraazoniacyclotetradecane], contains two half-cations, two dichromate anions and one water molecule
The distortions of the dichromate anions are due to their participation in hydrogen-bonding interactions with the water molecule and the cations
The asymmetric unit comprises of two half-cations, two dichromate anions and one water molecule
Summary
Chromium(VI) compounds are highly cytotoxic and potential carcinogens (Cohen et al, 1993). (C10H26N4)2+, or a tetracation, (C10H28N4)4+, in both of which all of the N—H bonds are generally active in hydrogen-bond formation. These di- or tetraammonium cations may be suitable candidates for the removal of toxic metal ions. The syntheses and crystal structures of [H2(cyclam)](ClO4) (Nave & Truter, 1974), [H2(cyclam)]Cl20.5H2O (Kim et al, 2009), [H4(cyclam)](NO3)42H2O (Harrowfield et al, 1996), [H2(cyclam)](maleate) The crystal structure of neutral cyclam has been determined (Robinson et al, 1989), but a combination of the 1,4,8,11-tetraazoniacyclotetradecane cation with the [CrO7]2 anion has not been reported. We give here details of the preparation of the title compound, a new hydrated organic dichromate(VI) salt, [H4(cyclam)][Cr2O7]2H2O, (I), and its structural characterization by synchrotron single-crystal X-ray diffraction.
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