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Poly[diaqua-tetra-?-seleno-cyanato-cadmium(II)dipotassium(I)].

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

SUBMITTER: Reinert T

PROVIDER: S-EPMC2983348 | BioStudies | 2010-01-01

REPOSITORIES: biostudies

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catena-Poly[[bis-(2-chloro-pyrazine-?N (4))cadmium]-di-?-thio-cyanato-?(2) N:S;?(2) S:N].

Project description:Reaction of cadmium thio-cyanate with 2-chloro-pyrazine leads to the polymeric title compound, [Cd(NCS)2(C4H3ClN2)2] n . The Cd(II) cation, which is located on a center of inversion, is coordinated by two N-bonded and two S-bonded thio-cyanate anions and by two N-bonded 2-chloro-pyrazine ligands within a slightly distorted octa-hedron. The Cd(II) cations are linked into chains along the a axis by bridging thio-cyanate anions.

2013-01-01 | S-EPMC3629477 | BioStudies

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

Project description:The asymmetric unit of the title compound, [Zn(NCSe)(2)(C(4)H(4)N(2))(2)](n), consists of one Zn(2+) cation located on a special position with site symmetry 2/m, one seleno-cyanate 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 seleno-cyanate anions in mutually trans orientations within a slightly distorted octa-hedral coordination environment. The Zn atoms are ?-1,3-bridged via the pyrimidine ligands into a polymeric layer extending parallel to (100).

1000-01-01 | S-EPMC3151927 | BioStudies

Diaqua-bis-(seleno-cyanato-?N)bis-(pyrimidine-?N)manganese(II).

Project description:In the crystal structure of the title compound, [Mn(NCSe)(2)(C(4)H(4)N(2))(2)(H(2)O)(2)], the manganese(II) cation is coordinated by two N-bonded pyrimidine ligands, two N-bonded seleno-cyanate anions and two O-bonded water mol-ecules in a distorted octa-hedral coordination mode. The asymmetric unit consists of one manganese(II) cation, located on a centre of inversion, as well as one seleno-cyanate anion, one water mol-ecule and one pyrimidine ligand in general positions. The crystal structure consists of discrete building blocks of composition [Mn(NCSe)(2)(pyrimidine)(2)(H(2)O)(2)], which are connected into layers parallel to (101) by strong water-pyrimidine O-H?N hydrogen bonds.

2010-01-01 | S-EPMC3007293 | BioStudies

catena-Poly[[[di-aqua-bis-(seleno-cyanato-?N)iron(II)]-?-1,2-bis-(pyridin-4-yl)ethane-?(2) N:N'] 1,2-bis-(pyridin-4-yl)ethane disolvate dihydrate].

Project description:The title compound, {[Fe(NCSe)2(C12H12N2)(H2O)2]·2C12H12N2·2H2O} n , was obtained by the reaction of iron(II) sulfate hepta-hydrate and potassium seleno-cyanate with 1,2-bis-(pyridin-4-yl)ethane (bpa) in water. The Fe(II) cation is coordinated by two N-bonded seleno-cyanate anions, two water mol-ecules and two 1,2-bis-(pyridin-4-yl)ethane (bpa) ligands in a slightly distorted octa-hedral geometry. In addition, two non-coordinating bpa mol-ecules and two water mol-ecules are present. The Fe(II) cation is located on a center of inversion while the coordinating bpa ligand is located on a twofold rotation axis. The Fe(II) cations are linked by the bpa ligands into chains along the b-axis direction, which are further connected into layers perpedicular to the c axis by O-H?N and O-H?O hydrogen bonds to the non-coordin-ating bpa and the water mol-ecules. The crystal studied was twinned by pseudo-merohedry (180° rotation along c*; contribution of the minor twin component 3.7%).

1000-01-01 | S-EPMC3684883 | BioStudies

Tetra-kis(pyridazine-?N)bis-(seleno-cyanato-?N)nickel(II) pyridazine disolvate.

Project description:The reaction of nickel(II) nitrate with potassium seleno-cyanate and pyridazine leads to crystals of the title compound, [Ni(NCSe)(2)(C(4)H(4)N(2))(4)]·2C(4)H(4)N(2). The Ni(II) atom is coordinated by two terminal N-bonded seleno-cyanate anions and four pyridazine ligands within a slightly distorted octa-hedral geometry. The crystal structure contains two crystallographically independent pyridazine molecules in cavities of the structure, which are not coordinated to the metal centres. The structure is pseudo-C-centered due to the positioning of the discrete coordination complexes; the non-coordinating pyridazine molecules, however, break the C-centering. In the subcell, these ligands are disordered around centres of inversion, which do not coincide with the mid-point of the mol-ecules.

2012-01-01 | S-EPMC3393220 | BioStudies

catena-Poly[[bis-(3-acetyl-pyridine-?N)cadmium]-di-?-seleno-cyanato-?(2)N:Se;?(2)Se:N].

Project description:In the crystal structure of the title compound, [Cd(NCSe)(2)(C(7)H(7)NO)(2)](n), the Cd(2+) cation is coordinated by two 3-acetyl-pyridine ligands and four ?-1,3-bridging seleno-cyanate anions within a slightly distorted CdN(4)Se(2) octa-hedron. The asymmetric units consists of one Cd(2+) cation, which is situated on a center of inversion, as well as one seleno-cyanate anion and one 3-acetyl-pyridine ligand in general positions. The metal cations are ?-1,3-bridged via the seleno-cyanate anions into chains along the a axis.

1000-01-01 | S-EPMC3344419 | BioStudies

Poly[tetra-kis-(seleno-cyanato-?N)bis-(methanol-?O)tris-(?-pyrimidine-?N:N')dicobalt(II)].

Project description:In the title compound, [Co(2)(NCSe)(4)(C(4)H(4)N(2))(3)(CH(3)OH)(2)](n), the Co(II) ion is coordinated by three N-bonded pyrimidine ligands, two N-bonded seleno-cyanate anions and one O-bonded methanol mol-ecule in an octa-hedral coordination mode. The asymmetric unit consists of one Co(II) ion, one pyrimidine ligand, two seleno-cyanate anions and one methanol mol-ecule in general positions as well as one pyrimidine ligand located around a twofold rotation axis. In the crystal structure, the pyrimidine ligands bridge [Co(CNSe)(2)(CH(3)OH)] units into zigzag-like chains, which are further connected by pyrimidine ligands into layers parallel to (010).

1000-01-01 | S-EPMC3007058 | BioStudies

catena-Poly[[bis-(thio-cyanato-?N)iron(II)]-bis-(?-dipyrazin-2-yl di-sulfide-?(2) N (4):N (4'))].

Project description:In the title compound, [Fe(NCS)2(C8H6N4S2)2] n , the Fe(II) cation is coordinated by two terminal N-bonded thio-cyanate anions and four bridging N:N'-bridging dipyrazin-2-yl di-sulfide ligands in an octa-hedral geometry. The Fe(II) cations are connected via bridging 4,4'-di-pyrazine ligands into chains along the b-axis direction. The asymmetric unit consists of one Fe(II) cation located on position with site symmetry 2/m, one thio-cyanate anion located on a mirror plane and one di-sulfide ligand located on a twofold rotation axis.

2013-01-01 | S-EPMC3884442 | BioStudies

Tetra-kis(pyridazine-?N)bis-(seleno-cyanato-?N)cobalt(II) pyridazine disolvate.

Project description:Reaction of cobalt(II) nitrate with potassium seleno-cyanate and pyridazine leads to single crystals of the title compound, [Co(NCSe)(2)(C(4)H(4)N(2))(4)]·2C(4)H(4)N(2), which is isotypic with its nickel(II) thio-cyanate analogue. The Co(2+) cations are coordinated by two N-bonded seleno-cyanate ligands and four N atoms from four pyridazine ligands into discrete complexes. The complexes are arranged into layers parallel to (001). These layers are separated by additional non-coordinating pyridazine ligands.

2012-01-01 | S-EPMC3393216 | BioStudies

Poly[[tetra-kis-(?-1,2-di-4-pyridyl-ethyl-ene-?N:N')tetra-kis-(seleno-cyanato-?N)dimanganese(II)] 1,2-di-4-pyridyl-ethyl-ene disolvate].

Project description:The crystal structure of the title compound, {[Mn(NCSe)(2)(C(12)H(10)N(2))(2)]·C(12)H(10)N(2)}(2n), consists of two crystallographically independent Mn cations, four seleno-cyanate anions, four 1,2-di-pyridylethylene (bpe) ligands (two of which are located on centers of inversion) and two bpe solvent molecules. Each manganese(II) cation is coordinated by two terminally N-bonded seleno-cyanate anions and four bpe ligands within a slightly distorted octa-hedron. The manganese(II) cations are linked by the bpe ligands into chains that are further connected by these ligands into layers. These layers are stacked, forming cavities in which additional bpe solvent molecules are embedded.

1000-01-01 | S-EPMC3120600 | BioStudies

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