Crystal structure of bis­[(oxalato-κ2O1,O2)(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4N)chromium(III)] dichromate octa­hydrate from synchrotron X-ray data

Acta Crystallographica Section E: Crystallographic Communications

Choi, J.-H.¹  Moon, D.² 

[1] Department of Chemistry, Andong National University, Andong 36729, Republic of Korea;Pohang Accelerator Laboratory, POSTECH, Pohang 37673, Republic of Korea

关键词: CRYSTAL STRUCTURE;    CYCLAM;    CHROMIUM(III) COMPLEX;    BIDENTATE OXALATO LIGAND;    CIS-V CONFORMATION;    DICHROMATE ANION;    HYDROGEN BONDING;    SYNCHROTRON RADIATION;   

DOI  :  10.1107/S2056989017002614

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The asymmetric unit of the title compound, [Cr(C2O4)(C10H24N4)]2[Cr2O7]·8H2O (C10H24N4 = 1,4,8,11-tetra­aza­cyclo­tetra­decane, cyclam; C2O4 = oxalate, ox) contains one [Cr(ox)(cyclam)]+ cation, one half of a dichromate anion that lies about an inversion centre so that the bridging O atom is equally disordered over two positions, and four water mol­ecules. The terminal O atoms of the dichromate anion are also disordered over two positions with a refined occupancy ratio 0.586 (6):0.414 (6). The CrIII ion is coordinated by the four N atoms of the cyclam ligand and one bidentate oxalato ligand in a cis arrangement, resulting in a distorted octa­hedral geometry. The Cr—N(cyclam) bond lengths are in the range 2.069 (2)–2.086 (2) Å, while the average Cr—O(ox) bond length is 1.936 Å. The macrocyclic cyclam moiety adopts the cis-V conformation. The dichromate anion has a staggered conformation. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donors, and the O atoms of oxalate ligand, water mol­ecules and the Cr2O72− anion as acceptors, giving rise to a three-dimensional network.

【 授权许可】

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