Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[[aqua-(5-nitro-benzene-1,2,3-tricarboxyl-ato-?O)nickel(II)]-di-?-aqua-[diaqua-sodium]-di-?-aqua] tetra-hydrate].

ABSTRACT: In the title complex, {[NaNi(C(9)H(2)NO(8))(H(2)O)(7)]·4H(2)O}(n), the Ni(II) atom has a distorted octa-hedral coordination, defined by five O atoms from five water mol-ecules and one O atom from one 5-nitro-benzene-1,2,3-tricarboxyl-ate ligand. The Na cation is coordinated by six water O atoms in an irregular trigonal-prismatic geometry. There are seven coordinated water mol-ecules in the asymmetic unit. The Ni and Na atoms are linked by water bridges, forming infinite chains, which are connected by strong O-H?O hydrogen bonds involving the coordinated and uncoordinated water mol-ecules into a three-dimensional network.

SUBMITTER: Tan ZD

PROVIDER: S-EPMC2983560 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[[aqua-(5-nitro-benzene-1,2,3-tricarboxyl-ato-κO)nickel(II)]-di-μ-aqua-[diaqua-sodium]-di-μ-aqua] tetra-hydrate].

Tan Zheng-De ZD Yi Bing B

Acta crystallographica. Section E, Structure reports online 20100227 Pt 3

In the title complex, {[NaNi(C(9)H(2)NO(8))(H(2)O)(7)]·4H(2)O}(n), the Ni(II) atom has a distorted octa-hedral coordination, defined by five O atoms from five water mol-ecules and one O atom from one 5-nitro-benzene-1,2,3-tricarboxyl-ate ligand. The Na cation is coordinated by six water O atoms in an irregular trigonal-prismatic geometry. There are seven coordinated water mol-ecules in the asymmetic unit. The Ni and Na atoms are linked by water bridges, forming infinite chains, which are connect ...[more]

PMID: 21580274

Similar Datasets

catena-Poly[[[aqua-(5-nitro-benzene-1,2,3-tricarboxyl-ato-?O)copper(II)]-di-?-aqua-[diaqua-sodium]-di-?-aqua] tetra-hydrate].

Project description:In the heteronuclear coordination polymer, {[CuNa(C(9)H(2)NO(8))(H(2)O)(7)]·4H(2)O}(n), the Cu(II) atom is coordinated by six O atoms from five water mol-ecules and one 5-nitro-benzene-1,2,3-tricarboxyl-ate ligand in a slightly distorted octa-hedral geometry. The Na(+) cation is surrounded by six water mol-ecules in an irregular trigonal-prismatic geometry. The Cu and Na atoms are connected by water bridges, forming an infinite chain. O-H?O hydrogen bonds involving the coordinated and uncoordinated water mol-ecules connect the chains into a three-dimensional network.

| S-EPMC2979819 | biostudies-other

catena-Poly[[octa-aqua-bis-(?(4)-benzene-1,3,5-tricarboxyl-ato)trizinc] tetra-hydrate].

Project description:In the title compound, {[Zn(3)(C(9)H(3)O(6))(2)(H(2)O)(8)]·4H(2)O}(n), there are two crystallographically independent Zn(II) ions. One presents a trigonal-bipyramidal coordination geometry defined by five O atoms [three from two carboxyl-ate groups of two benzene-1,3,5-tricarboxyl-ate (BTC) ligands and the other two deriving from three water mol-ecules], while the other lies on an inversion centre and exists in a slightly distorted octa-hedral coordination geometry defined by six O atoms (two from two carboxyl-ate groups of two BTC ligands and the others from four water mol-ecules). A three-dimensional framework is further strengthened via O-H?O hydrogen-bonding inter-actons.

| S-EPMC3089220 | biostudies-literature

Poly[[aqua-?(6)-benzene-1,2,3-tricarboxyl-ato-?(3)-hydroxido-dizinc] hemihydrate].

Project description:In the title compound, {[Zn(2)(C(9)H(3)O(6))(OH)(H(2)O)]·0.5H(2)O}(n), there are three independent Zn(II) atoms present; two are located on special positions, viz a twofold rotation axis and an inversion centre, and the third is located in a general position. The Zn(II) atom on the inversion centre is six-coordinated by four O atoms from four different benzene-1,2,3-tricarboxyl-ate anions and two OH(-) anions. The Zn(II) atom located on a twofold axis is four coordinated by two O atoms from two different benzene-1,2,3-tricarboxyl-ate anions and two OH(-) anions. The third Zn(II) atom, located in a general position, is five coordinated by three O atoms from three different benzene-1,2,3-tricarboxyl-ate anions, one OH(-) anion and one water mol-ecule. Each benzene-1,2,3-tricarboxyl-ate anion bridges six Zn(II) atoms, and the OH(-) anion bridges three Zn(II) atoms, resulting in the formation of a three-dimensional framework. A series of O-H?O hydrogen bonds involving the benzene-1,2,3-tricarboxyl-ate anions, the OH(-) anion and the coordinating and the two water solvent mol-ecules further stablize the crystal structure. The two solvent water molecules show occupancies of 0.5 and 0.25.

| S-EPMC3274850 | biostudies-other

catena-Poly[[aqua-(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-di-carboxyl-ato].

Project description:The title compound, [Cd(C(8)H(4)O(4))(C(12)H(8)N(2))(H(2)O)](n), is a new coordination polymer of benzene-1,4-dicarboxyl-ate with cadmium(II) and 1,10-phenanthroline. The Cd(II) ion is coordinated by two N atoms from the 1,10-phenanthroline mol-ecule, three O atoms from two crystallographically independent benzene-1,4-dicarboxyl-ate ligands and the O atom of a coordinated water mol-ecule, forming a heavily distorted octa-hedron. The 1,10-phenanthroline ligand is approximately planar within 0.073 (4) Å. The two different benzene-1,4-dicarboxyl-ate ligands each coordinate to two Cd(II) ions in bidentate and monodentate modes, forming an infinite zigzag chain. Adjacent chains are packed tightly by strong π-π inter-actions [centroid-centroid distances = 3.851 (2) and 3.859 (2) Å] between the aromatic rings of the benzene-1,4-dicarboxyl-ate ligand and the 1,10-phenanthroline of a neighboring chain, forming a sheet parallel to (011). Different sheets are linked together via O-H⋯O hydrogen bonds between the coordinated water mol-ecules and the O atoms of the carboxyl-ate groups, forming a three-dimensional network.

| S-EPMC2967922 | biostudies-literature

catena-Poly[[cobalt(II)-?-aqua-di-?-butano-ato-?O:O';?O:O] 0.7-hydrate].

Project description:In the title coordination polymer, {[Co(C(3)H(7)COO)(2)(H(2)O)]·0.7H(2)O}(n), the Co(2+) cation is coordinated by four bridging butano-ate anions and two bridging water mol-ecules in a severely distorted octa-hedral geometry. The Co(2+) cations are linked by means of bridging ligands into polymeric chains along [010]. These chains are further connected to each other through hydrogen bonds involving partially occupied disordered water mol-ecules; thus, sheets parallel to (001) are formed. One of the positions of disordered water O atom lies on a twofold axis. Two atoms of the aliphatic chain of one of the butanoate anions are disordered over two positions each.

| S-EPMC3120566 | biostudies-literature

Poly[[diaqua-(3-carb-oxy-5-nitro-ben-zo-ato)(μ-5-nitro-benzene-1,3-dicarboxyl-ato)neodymium(III)] 2.5-hydrate].

Project description:In the title compound, {[Nd(C(8)H(3)NO(6))(C(8)H(4)NO(6))(H(2)O)(2)]·2.5H(2)O}(n), the Nd(II) ion is nine-coordinated by seven O atoms from five carboxyl-ate groups and two water mol-ecules. The [Nd(C(8)H(3)NO(6))(H(2)O)(2)](2+) units are bridged by 5-nitro-isophthalate dianions, forming polymeric sheets parallel to the ab plane. The polymeric sheets are linked into a three-dimensional network by O-H⋯O and C-H⋯O hydrogen bonds, and π-π inter-actions [centroid-centroid distance = 3.5533 (11) Å]. The 5-nitro-isophthalate(1-) anion is disordered over three positions with an occupancy ratio of 0.68:0.23:0.09. Two of the uncoordinated water mol-ecules are disordered over two positions, with occupancy ratios of 0.722 (15):0.278 (15) and 0.279 (6):0.221 (6), respectively.

| S-EPMC2970002 | biostudies-literature

Poly[tetra-n-butyl-ammonium [(μ(5)-benzene-1,3,5-tricarboxyl-ato)(μ(4)-benzene-1,3,5-tricarboxyl-ato)-μ(3)-hydroxido-trizincate] 0.25-hydrate].

Project description:In the asymmetric unit of title coordination polymer, {(C(16)H(36)N)[Zn(3)(C(9)H(3)O(6))(2)(OH)]·0.25H(2)O}(n), there are three independent Zn(2+) cations, two benzene-1,3,5-tricarboxyl-ate ligands and a μ(3)-bridging hydroxide group, together with a tetra-n-butyl-ammonium counter-cation and a partially occupied water molecule of solvation (occupancy 0.25). Each Zn ion is coordinated by three carboxyl-ate O atoms and one O atom from the bridging hydroxide ion, displaying a slightly distorted tetra-hedral stereochemistry [overall Zn-O range = 1.875 (3)-1.987 (2) Å]. An intra-molecular hydrogen bond involving the hydroxide H atom and a carboxyl-ate O-atom acceptor is also present in the complex unit. The bridging benzene-1,3,5-tricarboxyl-ate anions generate a three-dimensional framework structure.

| S-EPMC3247557 | biostudies-literature

Poly[[nona-aqua-bis-(?-5-hy-droxy-benzene-1,3-di-carboxyl-ato)(5-hy-droxy-benzene-1,3-di-carboxyl-ato)dicerium(III)] hexa-hydrate].

Project description:In the title coordination polymer, {[Ce2(C8H4O5)3(H2O)9]·6H2O} n , the asymmetric unit is formed by two Ce(III) atoms, three 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands, nine coordinating water mol-ecules and six water mol-ecules of crystallization. The two Ce(III) atoms are bridged by 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands acting in a bis-bidentate coordination mode, generating infinite chains along [101]. Both independent metal atoms are nine-coordinated, one by four O atoms from the carboxyl-ate groups of two bridging 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands and five O atoms from water mol-ecules, generating a tricapped trigonal-prismatic geometry. The coordination around the second Ce(III) atom is similar, except that one of the water mol-ecules is replaced by an O atom from an additional 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligand acting in a monodentate coordination mode and forming a capped square-anti-prismatic geometry.

| S-EPMC4011209 | biostudies-literature

catena-Poly[[[diaqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato-[tetra-aqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato] tetra-hydrate].

Project description:In the crystal structure of the title compound, {[Fe(2)(C(7)H(3)NO(4))(2)(H(2)O)(6)]·4H(2)O}(n), there are two types of coordination for the Fe(II) atoms. One Fe(II) atom is in a distorted octa-hedral N(2)O(4) environment, with two chelating rings from the pyridine-dicarboxyl-ate ligands and two O atoms from the water mol-ecules, while the other is in a distorted octa-hedral O(6) environment with two O atoms from the pyridine-dicarboxyl-ate ligands and four O atoms from the water mol-ecules. Both Fe(II) atoms lie on crystallographic centers of symmetry. The complex possesses an infinite chain structure running along the [101] direction. These chains are inter-connected by the uncoordinated water mol-ecules through O-H⋯O hydrogen bonds.

| S-EPMC2960407 | biostudies-literature

Diguanidinium bis-(μ-2-hydroxy-propane-1,2,3-tricarboxyl-ato)bis-[diaqua-zincate(II)] dihydrate.

Project description:The asymmetric unit of the title compound, (CH(6)N(3))(2)[Zn(2)(C(6)H(5)O(7))(2)(H(2)O)(2)]·2H(2)O, contains one-half of a centrosymmetric dizinc(II) complex anion, one guanidinium cation and one water mol-ecule. Each Zn(II) ion is hexa-coordinated by two citrate anions, one in a bidentate fashion and the second monodentate, and two water mol-ecules in a distorted octa-hedral geometry. Intra-molecular O-H⋯O hydrogen bonds add further stability to the mol-ecular structure. In the crystal structure, mol-ecules are linked into a three-dimensional framework by inter-molecular N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC2979955 | 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