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Trans-{1,8-Bis[(R)-?-methyl-benz-yl]-1,3,6,8,10,13-hexa-azacyclo-tetra-deca-ne}dithio-cyanato-nickel(II).

ABSTRACT: The title compound, [Ni(NCS)(2)(C(24)H(38)N(6))], is a thio-cyanate-coordinated aza-macrocyclic nickel(II) complex. There are two independent mol-ecules in the asymmetric unit and their bond lengths and angles are similar. Both Ni atoms have a tetra-gonally distorted octa-hedral geometry, in which the Ni(II) ion is coordinated by the four secondary N atoms of the aza-macrocyclic ligand and by two N atoms of the thio-cyanate ions. The average equatorial Ni-N bond lengths are shorter than the average axial Ni-N bond lengths [2.071?(1) and 2.115?(2)?Å, respectively]. N-H?S hydrogen-bonding inter-actions between a secondary amine N atom and the adjacent thio-cyanate ion leads to a polymeric chain along [100].

SUBMITTER: Shin JW

PROVIDER: S-EPMC2968297 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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trans-{1,8-Bis[(R)-α-methyl-benz-yl]-1,3,6,8,10,13-hexa-azacyclo-tetra-deca-ne}dithio-cyanato-nickel(II).

Shin Jong Won JW Min Kil Sik KS

Acta crystallographica. Section E, Structure reports online 20090128 Pt 2

The title compound, [Ni(NCS)(2)(C(24)H(38)N(6))], is a thio-cyanate-coordinated aza-macrocyclic nickel(II) complex. There are two independent mol-ecules in the asymmetric unit and their bond lengths and angles are similar. Both Ni atoms have a tetra-gonally distorted octa-hedral geometry, in which the Ni(II) ion is coordinated by the four secondary N atoms of the aza-macrocyclic ligand and by two N atoms of the thio-cyanate ions. The average equatorial Ni-N bond lengths are shorter than the aver ...[more]

PMID: 21581824

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