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Crystal structures of (1,4,7,10-tetra-aza-cyclo-dodecane-κ(4) N)bis-(tri-cyano-methanido-κN)nickel and (1,4,7,10-tetra-aza-cyclo-dodecane-κ(4) N)(tri-cyano-methanido-κN)copper tri-cyano-methanide.

Luo J, Zhang XR, Qiu LJ, Yang F, Liu BS - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The tcm(-) ligands are mutually cis.The second tcm(-) molecule acts as a counter-ion not directly coordinating to the copper cation.In both (I) and (II), extensive series of N-H⋯N and C-H⋯N hydrogen bonds generate three-dimensional network structures.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Pharmacy, Second Military Medical University, Shanghai 200433, People's Republic of China.

ABSTRACT
The structures of two mononuclear transition-metal complexes with tri-cyano-methanide (tcm(-)) and 1,4,7,10-tetra-aza-cyclo-dodecane (cyclen) ligands, [Ni(C4N3)2(C8H20N4)], (I), and [Cu(C4N3)(C8H20N4)](C4N3), (II), are reported. In the neutral complex (I), the nickel cation is coordinated by one cyclen ligand and two monodentate N-bound tcm(-) anions in a distorted octa-hedral geometry. The tcm(-) ligands are mutually cis. The Cu(II) atom in (II) displays a distorted tetra-gonal-pyramidal geometry, with the four N-donor atoms of the cyclen ligand in the equatorial plane, and one tcm(-) anion bound through a single N atom in an axial site, forming a monocation. The second tcm(-) molecule acts as a counter-ion not directly coordinating to the copper cation. In both (I) and (II), extensive series of N-H⋯N and C-H⋯N hydrogen bonds generate three-dimensional network structures.

No MeSH data available.


A view of the mol­ecule of (II), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. The hydrogen bond between the cation and anion is shown as a dashed line.
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fig2: A view of the mol­ecule of (II), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. The hydrogen bond between the cation and anion is shown as a dashed line.

Mentions: In (II), the copper cation is also bound to the four N atoms (N1, N2, N3, N4) of a cyclen ligand but in the basal plane with the N5 atom of the tcm− ligand in an apical site, forming a five-coordinate cation with a distorted square-pyramidal coordin­ation geometry. The second tcm− anion does not enter the inner coordination sphere of the metal (Fig. 2 ▶), but acts as a counter-anion that is linked to the cation in the asymmetric unit through an N1—H1⋯N9 hydrogen bond (Fig. 2 ▶).


Crystal structures of (1,4,7,10-tetra-aza-cyclo-dodecane-κ(4) N)bis-(tri-cyano-methanido-κN)nickel and (1,4,7,10-tetra-aza-cyclo-dodecane-κ(4) N)(tri-cyano-methanido-κN)copper tri-cyano-methanide.

Luo J, Zhang XR, Qiu LJ, Yang F, Liu BS - Acta Crystallogr E Crystallogr Commun (2015)

A view of the mol­ecule of (II), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. The hydrogen bond between the cation and anion is shown as a dashed line.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4459349&req=5

fig2: A view of the mol­ecule of (II), showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. The hydrogen bond between the cation and anion is shown as a dashed line.
Mentions: In (II), the copper cation is also bound to the four N atoms (N1, N2, N3, N4) of a cyclen ligand but in the basal plane with the N5 atom of the tcm− ligand in an apical site, forming a five-coordinate cation with a distorted square-pyramidal coordin­ation geometry. The second tcm− anion does not enter the inner coordination sphere of the metal (Fig. 2 ▶), but acts as a counter-anion that is linked to the cation in the asymmetric unit through an N1—H1⋯N9 hydrogen bond (Fig. 2 ▶).

Bottom Line: The tcm(-) ligands are mutually cis.The second tcm(-) molecule acts as a counter-ion not directly coordinating to the copper cation.In both (I) and (II), extensive series of N-H⋯N and C-H⋯N hydrogen bonds generate three-dimensional network structures.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Pharmacy, Second Military Medical University, Shanghai 200433, People's Republic of China.

ABSTRACT
The structures of two mononuclear transition-metal complexes with tri-cyano-methanide (tcm(-)) and 1,4,7,10-tetra-aza-cyclo-dodecane (cyclen) ligands, [Ni(C4N3)2(C8H20N4)], (I), and [Cu(C4N3)(C8H20N4)](C4N3), (II), are reported. In the neutral complex (I), the nickel cation is coordinated by one cyclen ligand and two monodentate N-bound tcm(-) anions in a distorted octa-hedral geometry. The tcm(-) ligands are mutually cis. The Cu(II) atom in (II) displays a distorted tetra-gonal-pyramidal geometry, with the four N-donor atoms of the cyclen ligand in the equatorial plane, and one tcm(-) anion bound through a single N atom in an axial site, forming a monocation. The second tcm(-) molecule acts as a counter-ion not directly coordinating to the copper cation. In both (I) and (II), extensive series of N-H⋯N and C-H⋯N hydrogen bonds generate three-dimensional network structures.

No MeSH data available.