Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-?-benzoato-?O:O'-bis-[(benzoic acid-?O)nickel(II)].

ABSTRACT: The title compound, [Ni(2)(C(7)H(5)O(2))(4)(C(7)H(6)O(2))(2)], is composed of two Ni(II) ions, four bridging benzoate anions and two ?(1)-benzoic acid mol-ecules. The [Ni(2)(PhCOO)(4)] unit adopts a typical paddle-wheel conformation. The center between the two Ni(II) atoms represents a crystallographic center of inversion. In addition, each Ni(II) ion also coordinates to one O atom from a benzoic acid mol-ecule. The crystal packing is realised by inter-molecular hydrogen-bonding inter-actions and ?-? stacking inter-actions, with a centroid-centroid distance of 3.921?(1)?Å.

SUBMITTER: Deng JH

PROVIDER: S-EPMC2971096 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-μ-benzoato-κO:O'-bis-[(benzoic acid-κO)nickel(II)].

Deng Ji-Hua JH Yi Yan-Ping YP Xiong Zhi-Xing ZX Yuan Lin L Mei Guang-Quan GQ

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

The title compound, [Ni(2)(C(7)H(5)O(2))(4)(C(7)H(6)O(2))(2)], is composed of two Ni(II) ions, four bridging benzoate anions and two η(1)-benzoic acid mol-ecules. The [Ni(2)(PhCOO)(4)] unit adopts a typical paddle-wheel conformation. The center between the two Ni(II) atoms represents a crystallographic center of inversion. In addition, each Ni(II) ion also coordinates to one O atom from a benzoic acid mol-ecule. The crystal packing is realised by inter-molecular hydrogen-bonding inter-actions an ...[more]

PMID: 21578206

Similar Datasets

Tetra-kis(μ-2-methyl-benzoato)bis-[(2-methyl-benzoic acid)copper(II)].

Project description:In the title centrosymmetric dinuclear compound, [Cu(2)(C(8)H(7)O(2))(4)(C(8)H(8)O(2))(2)], four o-toluate anions form a cage around two Cu atoms in a syn-syn configuration. Two more o-toluic acid mol-ecules are apically bonded to the Cu atoms, which show a square-pyramidal coordination geometry. The acid H atoms are hydrogen bonded to the cage carboxyl O atoms [O⋯O = 2.660 (2) Å]. The mol-ecular packing forms a puckered pseudo-hexa-gonal close-packed layer in the (h00) plane, with soft inter-molecular H⋯H contacts (2.46-2.58 Å).

| S-EPMC2960998 | biostudies-literature

Tetra-kis(?-4-ethyl-benzoato-?O:O')-bis-[(4-ethyl-benzoic acid-?O)copper(II)].

Project description:The molecule of the title compound, [Cu(2)(C(9)H(9)O(2))(4)(C(9)H(10)O(2))(2)], lies on a center of inversion. It consists of four bridging ethyl-benzoate ligands, forming a cage around two Cu atoms in a syn-syn configuration, and two monodentate ethyl-benzoic acid ligands bonded apically to the square-planar Cu atoms. The Cu?Cu distance is 2.6047?(5)?Å.

| S-EPMC2961780 | biostudies-literature

Tetra-aqua-bis[4-(methyl-amino)benzoato-?O]nickel(II).

Project description:The title complex, [Ni(C(8)H(8)NO(2))(2)(H(2)O)(4)], is centrosymmetric with the Ni(II) ion located on a centre of symmetry. It contains two 4-(methyl-amino)benzoate (PMAB) anions and four coordinated water mol-ecules. The four O atoms in the equatorial plane around the Ni(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by two O atoms of the PMAB anions in the axial positions. In the crystal structure, inter-molecular O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2979289 | biostudies-literature

(Benzoato-?O,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N,N',N'',N''')nickel(II) perchlorate benzoic acid solvate.

Project description:In the title compound, [Ni(C(7)H(5)O(2))(C(16)H(36)N(4))]ClO(4)·C(7)H(6)O(2), the Ni atom displays a distorted octa-hedral coordination geometry with four N atoms of the ligand rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane (L) in a folded configuration and two benzoate (bz) O atoms. The [Ni(rac-L)(bz)](+) complex cation, perchlorate anion and benzoic acid mol-ecules engage in hydrogen bonding, with N?O distances between 2.970?(3) and 3.123?(3)?Å and an O?O distance of 2.691?(3)?Å.

| S-EPMC2960142 | biostudies-literature

Tetra-?-benzoato-bis-[(quinoxaline)copper(II)].

Project description:The paddlewheel-type centrosymmetric dinuclear title complex, [Cu(2)(C(7)H(5)O(2))(4)(C(8)H(6)N(2))(2)], contains four bridging benzoate groups and two terminal quinoxaline ligands. The octa-hedral coordination around each Cu atom, with four O atoms in the equatorial plane, is completed by an N atom of a quinoxaline mol-ecule [Cu-N = 2.2465?(18)?Å] and by the second Cu atom [Cu?Cu = 2.668?(5)?Å]. The Cu atom is 0.216?Å out of the plane of the four O atoms.

| S-EPMC2960297 | biostudies-literature

(Benzoato-?O)bis-(1,10-phenanthroline-?N,N')copper(II) chloride benzoic acid disolvate.

Project description:In the title complex, [Cu(C(7)H(5)O(2))(C(12)H(8)N(2))(2)]Cl·2C(6)H(5)CO-OH, the Cu(II) ion is coordinated by one carboxyl-ate O atom from a benzoate anion and four N atoms from two phenantroline ligands in a distorted five-coordinate trigonal-bipyramidal CuON(4) chromophore. The Cu(2+) and the Cl(-) ion are imposed by a twofold rotation axiss which also bisects the equally disordered benzoate anion. In the crystal, the mol-ecules are assembled into chains along [010] by C-H?Cl, O-H?Cl and C-H?O hydrogen-bonding inter-actions. The resulting chains are further connected into two-dimensional supra-molecular layers parallel to [100] by inter-chain ??? stacking inter-actions [centroid-centroid distance = 3.823?(5)?Å] between the phenanthroline ligands and the benzoic acid mol-ecules, and by C-H?O hydrogen-bonding inter-actions. Strong ??? stacking inter-actions between adjacent phenantroline ligands [3.548?(4)?Å] assemble the layers into a three-dimensional supra-molecular architecture.

| S-EPMC2979027 | biostudies-literature

Bis(benzoato-?O,O')(2,2'-bipyridine-?N,N')lead(II) benzoic acid monosolvate.

Project description:The reaction of lead acetate, benzoic acid and 2,2'-bipyridine (bipy) in aqueous solution yielded the title complex, [Pb(C(7)H(5)O(2))(2)(C(10)H(8)N(2))]·C(7)H(6)O(2). The asymmetric unit contains two independent complex mol-ecules as well as two independent benzoic acid solvent mol-ecules, one of which is disordered over two positions with almost equal occupancies [0.504?(5) and 0.496?(5)]. The two complex mol-ecules have similar configurations with the hexa-coordinated environment of the Pb(II) atom formed by four carboxyl-ate O atoms of two chelate benzoate ligands and two N atoms of the bipy ligand. The Pb-O bonds involving one of the benzoate ligands are almost coplanar with Pb-N bonds to the bipy ligand [dihedral angles of 12.67?(11) and 14.73?(11)°] ; if the second benzoate ligand is treated as one coordination site, the overall coordination may be represented as a distorted pseudo-square pyramid. Weak inter-molecular Pb?O inter-actions [3.046?(3) and 3.359?(3)?Å] link each of the complex mol-ecules into two symmetry-independent centrosymmetric dimers. Hydrogen bonds involving the carboxyl H atoms of solvent benzoic acid mol-ecules and metal-coordinated carboxyl-ate O atoms link complex mol-ecules and benzoic acid solvent mol-ecules into insular aggregates.

| S-EPMC3011706 | biostudies-literature

Bis(?2-benzoato-?(2) O:O')bis-[(benzoato-?(2) O,O')bis(4,4'-bi-pyridine-?N)cobalt(II)]-benzoic acid (1/6).

Project description:In the title compound, [Co2(C7H5O2)4(C10H8N2)4]·6C6H5COOH, the centrosymmetric cobalt dimer co-crystallizes with six mol-ecules of benzoic acid. Each Co(II) atom is coordinated by four O atoms in a distorted square-planar arrangement while the N atoms are located in apical positions. The dihedral angles between the rings comprising each of the 4,4'-bipyridyl ligands are 25.2?(2) and 22.8?(2)°. In the crystal, the three-dimensional network is assembled by O-H?O and C-H?O hydrogen bonds.

| S-EPMC3914056 | biostudies-literature

Bis(benzoato-?O,O')(1,10-phenanthroline-?N,N')lead(II) benzoic acid mono-solvate.

Project description:The reaction of lead acetate, benzoic acid and 1,10-phenanthroline (phen) in aqueous solution yielded the title complex, [Pb(C(7)H(5)O(2))(2)(C(12)H(8)N(2))]·C(7)H(6)O(2). In the crystal, the Pb(II) ion is hexa-coordinated by two N atoms from one 1,10-phenanthroline ligand and four O atoms from two chelate benzoate anions. If the second benzoate ligand is treated as one coordination site, the overall coordination may be represented as a distorted pseudo-square pyramid. An inter-molecular O-H?O hydrogen bond links the solvent benzoic acid mol-ecule with a metal-coordinated benzoate ligand. The shortest Pb?Pb distance is 3.864?(4)?Å, indicating a weak metal-metal inter-action. Two complex mol-ecules related by an inversion centre form dimeric units via Pb?O inter-actions of 3.206?(4)?Å.

| S-EPMC3011696 | biostudies-literature

Tetra-aqua-bis-[4-(4H-1,2,4-triazol-4-yl)benzoato-?N]nickel(II) deca-hydrate.

Project description:In the title compound, [Ni(C(9)H(6)N(3)O(2))(2)(H(2)O)(4)]·10H(2)O, the Ni(II) ion lies on a twofold rotation axis and displays a slightly distorted octa-hedral geometry defined by two N atoms from two monodentate 4-(1,2,4-triazol-4-yl)benzoate ligands and four water mol-ecules, two of which also lie on the twofold rotation axis. In the crystal, the complex mol-ecules and uncoordinated water mol-ecules are linked via inter-molecular O-H?N and O-H?O hydrogen bonds, forming a three-dimensional supra-molecular network. ?-? inter-actions between the benzene rings provide additional stability of the crystal packing [centroid-centroid distance = 3.792?(2)?Å].

| S-EPMC3254290 | biostudies-literature

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