Browse
Submit Data
Databases
API
Help
Login

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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].

ABSTRACT: 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%).

SUBMITTER: Wohlert S

PROVIDER: S-EPMC3684883 | BioStudies | 2013-01-01T00:00:00Z

REPOSITORIES: biostudies

ACCESS DATA

Json Xml

Similar Datasets

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

Bis{?-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}bis-[(thio-cyanato-?N)iron(III)].

Project description:The title compound, [Fe(2)(C(16)H(14)N(2)O(2))(2)(NCS)(2)], is isostructural with the Mn(III)-containing analogue. Each Fe(III) atom is chelated by a tetra-dentate 2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolate ligand and by the N atom of a thio-cyanate anion, in a square-pyramidal arrangement. The complex mol-ecules form centrosymmetric dimers, with an Fe-O contact of 2.549?(3)?Å, trans to each thio-cyanate anion, completing a distorted octa-hedral coordination geometry.

1000-01-01 | S-EPMC2961955 | BioStudies

Diaqua-bis-[2,6-bis-(4H-1,2,4-triazol-4-yl)pyridine-?N(2)]bis-(seleno-cyanato-?N)cobalt(II).

Project description:In the title compound, [Co(NCSe)(2)(C(9)H(7)N(7))(2)(H(2)O)(2)], the Co(2+) cation is coordinated by two seleno-cyanate anions, two 2,6-bis-(4H-1,2,4-triazol-4-yl)pyridine ligands and two water mol-ecules within a slightly distorted N(4)O(2) octa-hedron. The asymmetric unit consists of one Co(2+) cation, which is located on a center of inversion, as well as one seleno-cyanate anion, one 2,6-bis-(4H-1,2,4-triazol-4-yl)pyridine ligand and one water mol-ecule in general positions. Inter-molecular O-H?N hydrogen bonds join the complex mol-ecules into layers parallel to the bc plane. The layers are linked by C-H?N and C-H?Se hydrogen bonds into a three-dimensional supra-molecular architecture.

1000-01-01 | S-EPMC3414148 | BioStudies

Bis(3-acetyl-pyridine-?N)diaqua-bis-(seleno-cyanato-?N)cobalt(II).

Project description:In the crystal structure of the title compound, [Co(NCSe)(2)(C(7)H(7)NO)(2)(H(2)O)(2)], the Co(2+) cation is coordinated by two seleno-cyanate anions, two 3-acetyl-pyridine ligands and two water mol-ecules within a slightly distorted CoN(4)O(2) octa-hedron. The asymmetric unit consists of one Co(2+) cation, which is located on a center of inversion, as well as one seleno-cyanate anion, one 3-acetyl-pyridine ligand and one water mol-ecule in general positions. Whereas one of the water H atoms makes a classical O-H?O hydrogen bond, the other shows a O-H?Se inter-action.

1000-01-01 | S-EPMC3344418 | 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

Diaqua-bis-[bis-(pyrazin-2-yl) sulfide-?N (4)]bis-(thio-cyanato-?N)iron(II) monohydrate.

Project description:In the title compound [Fe(NCS)2(C8H6N4S)2(H2O)2]·H2O, the Fe(II) cation is coordinated by two N-bonded thio-cyanate anions, two N (4)-bonded bis-(pyrazin-2-yl) sulfide ligands and two water mol-ecules in an slightly distorted octa-hedral geometry. The Fe(II) cation is located on a center of inversion and the lattice water mol-ecule on a twofold rotation axis. The thio-cyanate anions, the coordinating water mol-ecules and the sulfide ligands occupy general positions. The complex mol-ecules and lattice water mol-ecules are linked into a three-dimensional network by O-H-N and O-H?O hydrogen bonds.

2013-01-01 | S-EPMC3629478 | BioStudies

Bis(N-phenyl-ethane-1,2-diamine)dithio-cyanato-nickel(II).

Project description:The asymmetric unit of the title mononuclear Ni(II) compound, [Ni(NCS)(2)(C(8)H(12)N(2))(2)], contains two independent half-mol-ecules, the Ni atoms of which lie on crystallographic inversion centres. Each Ni(II) ion is chelated by two N atoms from two N-phenyl-ethane-1,2-diamine ligands and is also coordinated by two N atoms from two thio-cyanate ligands, giving a distorted octa-hedral geometry. In the crystal, mol-ecules are linked into a two-dimensional network parallel to (100) by N-H?S inter-actions.

2010-01-01 | S-EPMC2979796 | BioStudies

Bis(pyridazine-?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)], 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.

2011-01-01 | S-EPMC3089317 | 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

[N,N-Bis(2-amino-eth-yl)ethane-1,2-diamine](ethane-1,2-diamine)-nickel(II) thio-sulfate trihydrate.

Project description:The title compound, [Ni(C(2)H(8)N(2))(C(6)H(18)N(4))]S(2)O(3)·3H(2)O, was accidentally synthesized under solvothermal conditions applying [Ni(en)(3)]Cl(2) (en is ethane-1,2-diamine) as the Ni source. The asymmetric unit consists of one discrete [Ni(tren)(en)](2+) complex [tren is N,N-bis-(2-amino-eth-yl)ethane-1,2-diamine] in which the Ni(2+) cation is sixfold coord-inated within a slightly distorted octa-hedron, one thio-sulfate anion and three water mol-ecules. In the crystal, the complex cations, anions and water mol-ecules are linked by an intricate hydrogen-bonding network. One C atom of the tren ligand, as well as one O atom of a water mol-ecule, are disordered over two sites and were refined using a split model (occupancy ratios = 0.85:15 and 0.60:0.40, respectively).

1000-01-01 | S-EPMC3274897 | BioStudies

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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