Title of article :
Crystal structure of bis­­[(oxalato-κ2O1,O2)(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4N)chromium(III)] dichromate octa­hydrate from synchrotron X-ray data
Author/Authors :
Moon, Dohyun Pohang Accelerator Laboratory, Republic of Korea , Choi, Jong-Ha Department of Chemistry - Andong National University, Republic of Korea
Pages :
11
From page :
1
To page :
11
Abstract :
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.
Keywords :
crystal structure , cyclam , chro­mium(III) complex , bidentate oxalato ligand , cis-V conformation , CCDC reference: 1532785 , synchrotron radiation , hydrogen bonding , dichromate anion
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2017
Full Text URL :
Record number :
2621345
Link To Document :
بازگشت