Crystal structure of cis-di-chlorido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-?⁴N)chromium(III) (oxalato-?²O¹,O²)(1,4,8,11-tetra-aza-cyclo-tetra-decane-?⁴N)chromium(III) bis(perchlorate) from synchrotron data.

ABSTRACT: In the asymmetric unit of the title compound, [CrCl₂(C₁₀H₂₄N₄)][Cr(C₂O₄)(C₁₀H₂₄N₄)](ClO₄)₂ (C₁₀H₂₄N₄ = 1,4,8,11-tetra-aza-cyclo-tetra-decane, cyclam; C₂O₄ = oxalate, ox), there are two independent halves of the [CrCl₂(cyclam)]⁺ and [Cr(ox)(cyclam)]⁺ cations, and one perchlorate anion. In the complex cations, which are completed by application of twofold rotation symmetry, the Cr^III ions are coordinated by the four N atoms of a cyclam ligand, and by two chloride ions or one oxalate bidentate ligand in a cis arrangement, displaying an overall distorted octa-hedral coordination environment. The Cr-N(cyclam) bond lengths are in the range of 2.075?(5) to 2.096?(4)?Å while the Cr-Cl and Cr-O(ox) bond lengths are 2.3358?(14) and 1.956?(4)?Å, respectively. Both cyclam moieties adopt the cis-V conformation. The slightly distorted tetra-hedral ClO₄^- anion remains outside the coordination sphere. The supra-molecular architecture includes N-H?O and N-H?Cl hydrogen bonding between cyclam NH donor groups, O atoms of the oxalate ligand or ClO₄^- anions and one Cl ligand as acceptors, leading to a three-dimensional network structure.

SUBMITTER: Moon D 

PROVIDER: S-EPMC5050767 | biostudies-literature | 2016 Oct

REPOSITORIES: biostudies-literature