Thorben Reinert

Bis­(3-tert-butyl­pyridine-κN)bis­(4-tert-butyl­pyridine-κN)bis(thio­cyanato-κN)cadmium

The asymmetric unit of the title compound, [Cd(NCS)2(C9H13N)4], consists of one CdII cation located on a centre of inversion, one thiocyanate anion, one 3-tert-butylpyridine ligand and one 4-tert-butylpyridine ligand in general positions. The tert-butyl group of the 4-tert-butylpyridine ligand is disordered over two sets of sites in a 0.25:0.75 ratio and was refined using a split model. The CdII cation is coordinated by six N atoms of four tert-butylpyridine ligands and two N-bonded thiocyanate anions within a slightly distorted octahedral coordination environment.

Trans-bis-(3-tert-butyl-pyridine-κN)bis-(4-tert-butyl-pyridine-κN)bis-(thio-cyanato-κN)manganese(II).

The asymmetric unit of the title compound [Mn(NCS)2(C9H13N)4] consists of one MnII cation located on a center of inversion, one thiocyanato anion, one 3-tert-butylpyridine ligand and one 4-tert-butylpyridine ligand in general positions. The tert-butyl group of the 4-tert-butylpyridine ligand is disordered over two sets of sites in a 0.60:0.40 ratio. The MnII cation is coordinated by six N atoms of four tert-butylpyridine ligands and two N-bonded thiocyanato anions within a slightly distorted octahedral coordination environment.

catena-Poly[[μ3-hydroxido-tetra-μ2-pyrid­azine-1:2κ4N:N′;1:3κ2N:N′;2:3κ2N:N′-tetrakis(selenocyanato)-1κN,2κN,3κ2N-trizinc(II)]-μ-cyanido-1:2′κ2C:N]

In the crystal structure of the title compound, [Zn3(NCSe)4(OH)(CN)(C4H4N2)4]n one of the two crystallographically independent zinc(II) cations is coordinated by two terminal N-bonded selenocyanato anions and two N atoms of two symmetry-related pyridazine ligands in a trigonal-bipyramidal geometry, while the other zinc(II) cation is coordinated by one terminal N-bonded selenocyanato anion, one μ-1,2-cyanido anion and three N atoms of three crystallographically independent pyridazine ligands in a slightly distorted octahedral coordination geometry. The zinc(II) atoms are further connected via a μ3-hydroxido anion into trinuclear building blocks. The formula unit consists of three zinc cations, four selenocyanato anions, one μ3-hydroxido anion, four pyridazine molecules as well as one cyanido anion. The asymmetric unit contains half of a formula unit. One of the zinc atoms, two selenocyanato anions, two pyridazine ligands and the μ3-hydroxido anion are located on a crystallographic mirror plane, whereas the cyanido anion is located on a twofold rotation axis. Therefore, this anion is disordered due to symmetry. The cyanido anions connect the metal centres into polymeric zigzag chains propagating along the a axis.

Crystal structure of catena-poly[[(3-tert-butyl-pyridine-κN)(4-tert-butyl-pyridine-κN)cadmium]-di-μ-thio-cyanato-κ(2) N:S;κ(2) S:N].

In the crystal structure of the title compound, [Cd(NCS)2(C9H13N)2]n, the CdII cations are coordinated in a slightly distorted octahedral geometry by one 3-tert-butylpyridine ligand, one 4-tert-butylpyridine ligand and two pairs of translationally-equivalent μ-1,3-bridging thiocyanate ligands, all of which are in general positions. These μ-1,3-bridging thiocyante anions bridge the CdII cations, forming chains that propagate parallel to the b axis.

Poly[(aceto­nitrile-κN)-μ3-thio­cyanato-κ3N:S:S-μ2-thio­cyanato-κ2N:S-cadmium]

The asymmetric unit of the title compound, [Cd(NCS)2(CH3CN)]n, consists of one CdII cation, two thiocyanate anions and one acetonitrile ligand, all in general positions. The CdII cation is coordinated by three N atoms of two thiocyanate anions and one acetonitrile ligand, as well as three S atoms of symmetry-related thiocyanate anions within a slightly distorted octahedral coordination environment. The CdII cations are linked by μ-1,3(N,S) and μ-1,1,3(S,S,N) thiocyanate anions into layers that are located in the ab plane.

Poly[bis-(μ(2)-pyrimidine-κN:N')bis-(seleno-cyanato-κN)zinc].

The asymmetric unit of the title compound, [Zn(NCSe)2(C4H4N2)2]n, consists of one Zn2+ cation located on a special position with site symmetry 2/m, one selenocyanate anion on a mirror plane and one pyrimidine ligand on a twofold rotation axis. The zinc cation is coordinated by six N atoms of four pyrimidine ligands and two N-bonded selenocyanate anions in mutually trans orientations within a slightly distorted octahedral coordination environment. The Zn atoms are μ-1,3-bridged via the pyrimidine ligands into a polymeric layer extending parallel to (100).

Bis(pyridazine-κN)bis­(seleno­cyanato-κN)zinc

The asymmetric unit of the title compound, [Zn(NCSe)2(C4H4N2)2], consists of one ZnII cation, located on a twofold rotation axis, one selenocyanate anion and one pyridazine ligand in general positions. The ZnII atom is coordinated by two N-atoms of two pyridazine ligands and two terminal N-bonded selenocyanate anions within a slightly distorted tetrahedral coordination environment. In the crystal, discrete complex molecules are arranged in layers parallel to the ac plane, with ZnII⋯ZnII distances of 8.0906 (6) Å along the a axis and of 9.0490 (7) or 9.3604 (7) Å along the c axis. The complex molecules are further linked via weak Se⋯Se interactions, with Se⋯Se distances of 3.8235 (9) Å.

Poly[diaqua­tetra-μ-seleno­cyanato-cadmium(II)dipotassium(I)]

In the title compound, [CdK2(NCSe)4(H2O)2]n, the cadmium(II) cation is situated on a twofold rotation axis and is coordinated in a slightly distorted tetrahedral geometry by two symmetry-related μ-1,1,1,3 and two-symmetry related μ-1,1,3,3 bridging selenocyanate anions, all of which are Se bonded. These bridging selenocyanate anions are further coordinated to two symmetry-related potassium ions. Each of the potassium ions is coordinated by one terminally bonded water molecule and six selenocyanate anions, two of which are crystallographically independent. The asymmetric unit consists of one cadmium and one potassium cation, two bridging selenocyanate anions and one water molecule. The polymeric subunits are further connected via the selenocyanate anions into a three-dimensional coordination network. In this coordination network, intramolecular hydrogen bonds between neighbouring water molecules can be found.