Browse
Submit Data
Databases
API
Help

Dataset Information

31 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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 μ-1,3-bridged via the pyrimidine ligands into a polymeric layer extending parallel to (100).

SUBMITTER: Boeckmann J

PROVIDER: S-EPMC3151927 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Poly[tetra-kis-(seleno-cyanato-κN)bis-(methanol-κO)tris-(μ-pyrimidine-κN: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).

| S-EPMC3007058 | biostudies-literature

Bis(pyridazine-κN)bis-(seleno-cyanato-κN)zinc.

Project description: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.

| S-EPMC3089317 | biostudies-literature

Poly[bis-(methanol-κO)tris-(μ-pyrimidine-κN:N')tetra-kis(thio-cyanato-κN)dinickel(II)].

Project description:In the crystal structure of the title compound, [Ni(2)(NCS)(4)(C(4)H(4)N(2))(3)(CH(3)OH)(2)](n), each nickel(II) cation is coordinated by three N-bonded pyrimidine ligands, two N-bonded thio-cyanate anions and one O-bonded methanol mol-ecule in a distorted octa-hedral environment. The asymmetric unit consists of one nickel cation, two thio-cyanate anions and one methanol mol-ecule in general positions, as well as one pyrimidine ligand located around a twofold rotation axis. The crystal structure consists of μ-N:N' pyrimidine-bridged zigzag-like nickel thio-cyanate chains; these are further linked by μ-N:N-bridging pyrimidine ligands into layers which are stacked perpendicular to the b axis. The layers are connected via weak O-H⋯S hydrogen bonding.

| S-EPMC2968860 | biostudies-literature

Poly[bis-(cyanato-κN)bis-(μ-pyrazine-κN:N')cobalt(II)].

Project description:In the crystal structure of the title compound, [Co(NCO)(2)(C(4)H(4)N(2))(2)](n), the Co(II) cation is coordinated by four N-bonded pyrazine ligands and two N-bonded cyanate anions in a slightly distorted octa-hedral geometry. The crystal structure consists of μ-N:N' pyrazine-bridged cobalt cyanate chains; these are further linked by additional μ-N:N'-bridging pyrazine ligands into layers, which are stacked perpendicular to the crystallographic a axis. The C and O atoms in both crystallographic independent cyanate anions are disordered in two orientations and were refined using a split model with site occupation factor ratios of 0.75/0.25 and 0.7/0.3.

| S-EPMC2968858 | biostudies-literature

Bis(cyanato-κN)bis-(5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine-κN)zinc.

Project description:In the title complex, [Zn(NCO)(2)(C(7)H(8)N(4))(2)], the Zn(II) ion exhibits a distorted tetra-hedral coordination geometry. The coordination environment is formed by two 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine (dmtp) ligands, coordinated through the N atom in position 3, and two cyanate anions inter-acting by their N atoms. Supra-molecular dimers are generated by stacking inter-actions between the pyrimidine rings of two ligands related by an inversion center [centroid-centroid distance = 3.5444 (18) Å].

| S-EPMC3052141 | biostudies-literature

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.

| S-EPMC3007293 | biostudies-literature

Poly[bis-(acetonitrile-κN)di-μ-thio-cyanato-κN,S;κS,N-nickel(II)].

Project description:In the title compound, [Ni(NCS)(2)(CH(3)CN)(2)](n), the Ni(II) cation is coordinated by two N-bonded and two S-bonded thio-cyanate anions, as well as two acetonitrile mol-ecules in an octa-hedral NiN(4)S(2) coordination mode. The asymmetric unit comprises one nickel cation, two thio-cyanate anions and two actonitrile mol-ecules. In the crystal, the Ni(II) cations are connected by bridging thio-cyanate anions into a three-dimensional coordination network.

| S-EPMC3051924 | biostudies-literature

catena-Poly[[dimethyl-bis-(thio-cyanato-κN)tin(IV)]-μ-(4,4'-bipyridine-κN:N')].

Project description:The title dimethyl-tin diisothio-cyanate adduct of 4,4'-bipyridine, [Sn(CH(3))(2)(NCS)(2)(C(10)H(8)N(2))](n), adopts a chain motif in which the N-heterocycle functions as a bridge to adjacent all-trans octa-hedrally coordinated tin atoms. The Sn(IV) atom lies on a special position of 2/m site symmetry, the methyl C atom on a special position of 2 site symmetry, and the thio-cyanate and 4,4'-bipyridine on a special position of m site symmetry.

| S-EPMC3052023 | biostudies-literature

Tetra-kis(pyridazine-κN)bis-(seleno-cyanato-κN)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.

| S-EPMC3393220 | biostudies-literature

Tetra-kis(pyridazine-κN)bis-(seleno-cyanato-κN)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.

| S-EPMC3393216 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data