Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[bis-[?-1,4-bis-(imidazol-1-yl)butane]dicyanato-cadmium(II)].

ABSTRACT: The coordination geometry of the Cd(II) atom in the title complex, [Cd(NCO)(2)(C(10)H(14)N(4))(2)](n) or [Cd(NCO)(2)(bimb)(2)](n), where bimb is 1,4-bis-(imidazol-1-yl)butane, is distorted octa-hedral with the Cd(II) atom located on an inversion center and connected to four N atoms from the imidazole units of four symmetry-related bimb ligands and two O atoms from two symmetry-related NCO(-) ligands. The Cd(II) atoms are bridged by four bimb ligands, forming a two-dimensional (4,4) network.

SUBMITTER: Zhu X

PROVIDER: S-EPMC2971904 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Poly[bis-[μ-1,4-bis-(imidazol-1-yl)butane]dicyanato-cadmium(II)].

Zhu Xia X Guo Ying Y Zou Yun-Ling YL

Acta crystallographica. Section E, Structure reports online 20091104 Pt 12

The coordination geometry of the Cd(II) atom in the title complex, [Cd(NCO)(2)(C(10)H(14)N(4))(2)](n) or [Cd(NCO)(2)(bimb)(2)](n), where bimb is 1,4-bis-(imidazol-1-yl)butane, is distorted octa-hedral with the Cd(II) atom located on an inversion center and connected to four N atoms from the imidazole units of four symmetry-related bimb ligands and two O atoms from two symmetry-related NCO(-) ligands. The Cd(II) atoms are bridged by four bimb ligands, forming a two-dimensional (4,4) network. ...[more]

PMID: 21578557

Similar Datasets

Poly[bis-[?(2)-1,4-bis-(1H-imidazol-1-yl)butane]-dichloridonickel(II)].

Project description:The asymmetric unit of the title compound, [NiCl(2)(C(10)H(14)N(4))(2)](n), consists of one Ni(2+) ion which is located on an inversion center, one 1,4-bis-(imidazol-1-yl)butane (bimb) and one chloride ion. The Ni(2+) ion exhibits a distorted octa-hedral coordination environment defined by four N atoms from four bimb ligands in the equatorial plane and two chloride ions in axial positions. The bridging coordination mode of the bimb ligands leads to the formation of inter-penetrating square Ni(4)(bimb)(4) units that are arranged parallel to (001). The separation between the Ni atoms in these units is 13.740?(3)?Å.

| S-EPMC3247550 | biostudies-other

catena-Poly[[[dichloridozinc(II)]-?-1,4-bis-(1H-benzimidazol-2-yl-?N)butane] 1,4-bis-(1H-benzimidazol-2-yl)butane solvate].

Project description:In the crystal structure of the title coordination polymer/co-crystal, {[ZnCl(2)(C(18)H(18)N(4))]·C(18)H(18)N(4)}(n), the tetrahedrally coordinated Zn(II) ions are linked by the N-heterocycle into a linear chain. Another N-heterocycle present is not coordinated to the metal atom but inter-acts with the chain through N-H?N and N-H?Cl hydrogen bonds. The butyl chain of the uncoordinated ligand is disordered over three positions in a 0.511?(4):0.289?(5):0.200?(5) ratio.

| S-EPMC2980004 | biostudies-literature

catena-Poly[[tetra-aqua-[?(2)-1,4-bis-(1,2,4-triazol-1-yl)butane-?N:N]cadmium(II)] sulfate].

Project description:In the polymeric title compound, {[Cd(C(8)H(12)N(6))(H(2)O)(4)]SO(4)}(n), the Cd(II) atom is located on an inversion center and coordinated by four water mol-ecules and two 1,4-bis-(1,2,4-triazol-yl)butane ligands in a distorted CdO(4)N(2) octa-hedral geometry. The 1,4-bis-(1,2,4-triazol-yl)butane ligand is centrosymmetric, the mid-point of the central C-C bond being located on an inversion center. It links adjacent water-coordinated metal atoms into polymeric chains running along the c axis. Adjacent chains are linked by O-H?N hydrogen bonds. The S atom of the sulfate anion is located on a twofold rotation axis, thus the sulfate anion is equally disordered over two sites. The sulfate anion links with the polymeric chains via O-H?O hydrogen bonds, generating a three-dimensional supra-molecular network.

| S-EPMC3011647 | biostudies-literature

1,4-Bis[2-(2-pyrid-yl)-1H-imidazol-1-yl]butane.

Project description:The title compound, C(20)H(20)N(6), was isolated from dimethyl sulfoxide solution using 2-(1H-imidazol-2-yl)pyridine and 1,4-dichloro-butane in the presence of NaOH.

| S-EPMC2959796 | biostudies-literature

catena-Poly[[diaqua-cadmium(II)]bis-(?-2,2-dimethyl-butane-dioato-?O,O':O'',O''')[diaqua-cadmium(II)]-?-1,4-bis-(3-pyridylmeth-yl)piperazine-?N:N].

Project description:In the title compound, [Cd(2)(C(6)H(8)O(4))(2)(C(16)H(20)N(4))(H(2)O)(4)](n), penta-gonal-bipyramidally coordinated Cd(II) ions are connected into {Cd(2)(2,2-dimethyl-succinate)(2)(H(2)O)(4)} centrosymmetric dimeric clusters. In turn, these clusters are linked by tethering 1,4-bis-(3-pyridylmeth-yl)piperazine (3-bpmp) ligands into [Cd(2)(2,2-dimethyl-succinate)(2)(3-bpmp)(H(2)O)(4)](n) coordination polymer chains. The chain motifs are oriented parallel to [10]. Individual chains are connected into supra-molecular layers via O-H?N and O-H?O hydrogen-bonding mechanisms.

| S-EPMC2979442 | biostudies-literature

catena-Poly[[dichloridozinc(II)]-?-1,4-bis-(1H-imidazol-1-yl)benzene].

Project description:In the title one-dimensional coordination polymer, [ZnCl(2)(C(12)H(10)N(4))](n), the Zn(II) atom (site symmetry 2) is coordinated by two chloride ions and two 1,4-bis-(imidazol-1-yl)benzene ligands, generating a distorted tetra-hedral ZnCl(2)N(2) geometry for the metal ion. The bridging ligand, which is completed by crystallographic inversion symmetry, links the Zn(II) atoms into zigzag chains propagating in [101]. Within the ligand, the dihedral angle between the central benzene ring and terminal imidazole ring is 27.82?(13)°.

| S-EPMC3011715 | biostudies-literature

Poly[zinc(II)-[?-1,4-bis-(imidazol-1-yl-methyl)benzene]-?-4,4'-oxydibenzoato].

Project description:In the title compound, [Zn(C(14)H(8)O(5))(C(14)H(14)N(4))](n), the coordination polyhedron around each Zn(II) atom is a distorted tetra-hedron. The ligands bridge the Zn atoms to form a two-dimensional (4,4)-network.

| S-EPMC2960729 | biostudies-literature

Poly[[?-1,4-bis-(imidazol-1-ylmeth-yl)benzene]bis-(?(4)-cyclo-hexane-1,4-dicarboxyl-ato)dinickel(II)].

Project description:The structure of the polymeric title compound, [Ni(2)(C(8)H(10)O(4))(2)(C(14)H(14)N(4))](n), features a five-coordinate Ni(II) centre defined by four carboxyl-ate O atoms from two different cyclo-hexane-1,4-dicarboxyl-ate (chdc) ligands and an N atom from one end of a 1,4-bis-(imidazol-1-ylmeth-yl)benzene (1,4-bix) mol-ecule. The NO(4) coordination geometry is distorted square-pyramidal with the N atom in the apical position. Each end of the chdc ligand links pairs of Ni(II) atoms into a paddle-wheel assembly, i.e. Ni(2)(O(2)CR')(4). These are connected into rows owing to the bridging nature of the chdc ligands, and the rows are connected into a two-dimensional grid via the 1,4-bix ligands. The 1,4-bix ligand, which is disposed about a centre of inversion, is disorderd. Two positions of equal occupancy were discerned for the -H(2)C(C(6)H(4))CH(2)- residue.

| S-EPMC2977293 | biostudies-literature

catena-Poly[[bis-(4-carboxy-cyclo-hexane-carboxyl-ato-?O,O)cadmium(II)]-?-1,4-bis-(imidazol-1-ylmeth-yl)benzene-?N:N].

Project description:In the title coordination polymer, [Cd(C(8)H(11)O(4))(2)(C(14)H(14)N(4))](n), the Cd atom (site symmetry 2) is six-coordin-ated by two O,O'-bidentate 4-carboxy-cyclo-hexa-necarboxyl-ate (Hchdc) ligands and two N atoms from two different 1,4-bis-(imidazol-1-ylmeth-yl)benzene (1,4-bix) mol-ecules in a very distorted cis-CdN(2)O(4) octa-hedral environment. The 1,4-bix mol-ecules act as bridging ligands that bind two Cd(II) atoms, thus forming an infinite chain propagating in [100], which is decorated by the Hchdc anions. The structure is completed by O-H?O hydrogen bonds, which link the chains together.

| S-EPMC2969484 | biostudies-literature

Poly[[?(2)-1,4-bis-(imidazol-1-ylmeth-yl)benzene]bis-(?(4)-cyclo-hexane-1,4-dicarboxyl-ato)dicobalt(II)].

Project description:In the title compound, [Co(2)(C(8)H(10)O(4))(2)(C(14)H(14)N(4))](n), the two Co(II) atoms are both five-coordinated by four carboxyl-ate O atoms, derived from two different cyclo-hexane-1,4-dicarboxyl-ate (chdc) ligands, and an N atom, derived from one end of a 1,4-bis-(imidazol-1-ylmeth-yl)benzene mol-ecule (1,4-bix), in a distorted square-pyramidal environment. Each end of the chdc ligand links pairs of Co(II) atoms into a paddle-wheel assembly, i.e. Co(2)(O(2)CR')(4); these are connected into rows because of the bridging nature of the chdc ligands, and the rows are further connected into a two-dimensional layer through the 1,4-bix ligands. The 1,4-bix ligand, which is disposed about a centre of inversion, is disorderd. Two positions were discerned for the -CH(2)(C(6)H(4))CH(2)- residue, with the major component having a site-occupancy factor of 0.512?(9).

| S-EPMC2970306 | 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