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Crystal structure of (perchlorato-?O)(1,4,7,10-tetra-aza-cyclo-dodecane-?⁴N)copper(II) perchlorate.

ABSTRACT: The crystal structure of the title salt, [Cu(ClO₄)(C₈H₂₀N₄)]ClO₄, is reported. The Cu^II ion exhibits a square-pyramidal geometry and is coordinated by the four N atoms of the neutral 1,4,7,10-tetra-aza-cyclo-dodecane (cyclen) ligand and an O atom from one perchlorate anion, with the second perchlorate ion hydrogen-bonded to one of the amine N atoms of the cyclen ligand. Additional N-H?O hydrogen bonds between the amine H atoms and the coordinating and non-coordinating perchlorate groups create a three-dimensional network structure. Crystals were grown from a concentrated methanol solution at ambient temperature, resulting in no co-crystallization of solvent.

SUBMITTER: Gray JL

PROVIDER: S-EPMC5209765 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of (perchlorato-κO)(1,4,7,10-tetra-aza-cyclo-dodecane-κ4N)copper(II) perchlorate.

Gray Jessica L JL Gerlach Deidra L DL Papish Elizabeth T ET

Acta crystallographica. Section E, Crystallographic communications 20170101 Pt 1

The crystal structure of the title salt, [Cu(ClO4)(C8H20N4)]ClO4, is reported. The CuII ion exhibits a square-pyramidal geometry and is coordinated by the four N atoms of the neutral 1,4,7,10-tetra-aza-cyclo-dodecane (cyclen) ligand and an O atom from one perchlorate anion, with the second perchlorate ion hydrogen-bonded to one of the amine N atoms of the cyclen ligand. Additional N-H⋯O hydrogen bonds between the amine H atoms and ...[more]

PMID: 28083129

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

Project description: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.

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Project description:In the title compound, [CuMoO(4)(C(8)H(20)N(4))]·H(2)O, the Cu(II) atom is coordinated by four N atoms of the 1,4,7,10-tetra-aza-cyclo-dodecane (cyclen) ligand and one O atom of the molybdate unit in a distorted square-pyramidal environment. The water mol-ecules are linked to the complex unit to form centrosymmetric dimers [R(4) (4)(12) and R(4) (4)(16)] and discrete D(3) (2)(9), D(3) (3)(11) and D(3) (3)(13) chains by O-H?O and N-H?O inter-actions. Additionally, the complex mol-ecules are linked into C(4) (4)(18) chain motifs by N-H?O inter-actions. As a result [(cyclen)CuMoO(4)] units and water molecules are linked to layers that are oriented parallel to the ac plane. The stacking of the layers in the b-axis direction is supported by weak C-H?O hydrogen bridges.

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Crystal structure of bis-{μ2-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4H-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate.

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Crystal structure of cis-di-chlorido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4N)chromium(III) (oxalato-κ2O1,O2)(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4N)chromium(III) bis(perchlorate) from synchrotron data.

Project description: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 CrIII 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.

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Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa-aza-cyclo-tetra-decane-?(4) N (3),N (6),N (10),N (13))bis-(perchlorato-?O)copper(II) from synchrotron data.

Project description:The structure of the title compound, [Cu(ClO4)2(C16H38N6)] has been determined from synchrotron data, ? = 0.62988?Å. The asymmetric unit comprises one half of the Cu(II) complex as the Cu(II) cation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutually trans O atoms of the two perchlorate ions in a tetra-gonally distorted octa-hedral geometry. The average equatorial Cu-N bond length is significantly shorter than the average axial Cu-O bond length [2.010?(4) and 2.569?(1)?Å, respectively]. Intra-molecular N-H?O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the mol-ecular structure. In the crystal structure, an extensive series of inter-molecular N-H?O and C-H?O hydrogen bonds generate a three-dimensional network.

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