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Bis(pyridazine-?N)bis-(seleno-cyanato-?N)zinc.

ABSTRACT: The asymmetric unit of the title compound, [Zn(NCSe)(2)(C(4)H(4)N(2))(2)], consists of one Zn(II) cation, located on a twofold rotation axis, one seleno-cyanate anion and one pyridazine ligand in general positions. The Zn(II) atom is coordinated by two N-atoms of two pyridazine ligands and two terminal N-bonded seleno-cyanate anions within a slightly distorted tetra-hedral coordination environment. In the crystal, discrete complex mol-ecules are arranged in layers parallel to the ac plane, with Zn(II)?Zn(II) 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 mol-ecules are further linked via weak Se?Se inter-actions, with Se?Se distances of 3.8235?(9)?Å.

SUBMITTER: Reinert T

PROVIDER: S-EPMC3089317 | BioStudies | 2011-01-01

REPOSITORIES: biostudies

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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

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

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

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

catena-Poly[[?(3)-hydroxido-tetra-?(2)-pyrid-azine-1:2?N:N';1:3?N:N';2:3?N:N'-tetrakis(selenocyanato)-1?N,2?N,3?N-trizinc(II)]-?-cyanido-1:2'?C:N].

Project description:In the crystal structure of the title compound, [Zn(3)(NCSe)(4)(OH)(CN)(C(4)H(4)N(2))(4)](n) one of the two crystallograph-ically independent zinc(II) cations is coordinated by two terminal N-bonded seleno-cyanato 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 seleno-cyanato anion, one ?-1,2-cyanido anion and three N atoms of three crystallographically independent pyridazine ligands in a slightly distorted octa-hedral coordination geometry. The zinc(II) atoms are further connected via a ?(3)-hydroxido anion into trinuclear building blocks. The formula unit consists of three zinc cations, four seleno-cyanato anions, one ?(3)-hydroxido anion, four pyridazine mol-ecules as well as one cyanido anion. The asymmetric unit contains half of a formula unit. One of the zinc atoms, two seleno-cyanato anions, two pyridazine ligands and the ?(3)-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.

2010-01-01 | S-EPMC3007368 | BioStudies

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

Project description: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.

2010-01-01 | S-EPMC2983348 | BioStudies

catena-Poly[[[bis-(methanol-?O)bis-(seleno-cyanato-?N)manganese(II)]-?-1,2-bis-(pyridin-4-yl)ethane-?(2) N:N'] 1,2-bis-(pyridin-4-yl)ethane monosolvate].

Project description:The reaction of manganese seleno-cyanate with 1,2-bis-(pyridin-4-yl)ethane (bpa) leads to the title compound, {[Mn(NCSe)2(C12H12N2)(CH3OH)2]·C12H12N2} n . The Mn(II) cation is coordinated by two N-bonded seleno-cyanate anions, two bpa ligands and two O-bonded methanol mol-ecules, within a slightly distorted octa-hedral geometry. The Mn(II) cations and the non-coordinating N-donor ligands are located on centers of inversion while the coordinating N-donor co-ligands are located on a twofold rotation axis. In the crystal, the Mn(II) cations are linked into chains along the c-axis direction by the bpa ligands. The chains are further connected via a non-coordinating bpa ligand into layers parallel to (3-10) via O-H?N hydrogen-bonding inter-actions.

2013-01-01 | S-EPMC3629498 | BioStudies

catena-Poly[[[bis-(methanol-?O)bis-(seleno-cyanato-?N)manganese(II)]-?-1,2-bis-(pyridin-4-yl)eth-ene-?(2) N:N'] 1,2-bis-(pyridin-4-yl)eth-ene mono-solvate].

Project description:In the crystal structure of the title compound, {[Mn(NCSe)2(C12H10N2)(CH3OH)2]·C12H10N2} n , the Mn(II) cation is coordin-ated by two terminal N-bonded seleno-cyanate anions, two methanol mol-ecules and two 1,2-bis-(pyridin-4-yl)eth-ene (bpe) ligands within a slightly distorted octahedral geometry. The Mn(II) cations are linked into chains along the c-axis direction by the bpe ligands, which are further connected by inter-molecular O-H?N hydrogen bonding between the methanol H atoms and additional bpe mol-ecules that are not coordinated to the metal atoms. The Mn(II) cation and both crystallographically independent bpe ligands are located on centers of inversion, whereas the seleno-cyanate and methanol ligands occupy general positions.

2013-01-01 | S-EPMC3684882 | 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

catena-Poly[[[bis-(thio-cyanato-?N)zinc(II)]-?-1,2-bis-{[2-(2-pyrid-yl)-1H-imidazol-1-yl]meth-yl}benzene] 0.28-hydrate].

Project description:The title one-dimensional coordination polymer, {[Zn(NCS)(2)(C(24)H(20)N(6))(2)]·0.28H(2)O}(n), was obtained by the reaction of Zn(OAc)(2)·2H(2)O, KSCN and 1,2-bis-{[2-(2-pyrid-yl)-1H-imid-azol-1-yl]meth-yl}benzene (hereafter L). The Zn(II) ion shows a distorted octa-hedral coordination geometry and is coordin-ated by two N atoms from two SCN(-) anions and four N atoms from two organic ligands. The L ligands act as bridging bis-chelating ligands with cis coordination modes at the Zn(II) ion. One-dimensional coordination polymers are arranged into layers by ?-? stacking inter-actions between the imidazole rings of adjacent chains, with an inter-planar distance of 3.46?(1)?Å and centroid-centroid distances of 3.8775?(16)?Å. One of the thio-cyanate ligands is disordered over two positions with an occupancy factor of 0.564?(3) for the major component. The partially occupied water mol-ecule forms an O-H?S hydrogen bond with the disordered thio-cyanate group.

2010-01-01 | S-EPMC3007418 | BioStudies

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