Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[(?(2)-3-carb-oxy-5-nitro-benzoato)(?(3)-5-nitro-benzene-1,3-dicarboxyl-ato)(1,10-phenanthroline)gadolinium(III)].

ABSTRACT: The crystal structure of the title complex, [Gd(C(8)H(3)NO(6))(C(8)H(4)NO(6))(C(12)H(8)N(2))](n), contains polymeric chains made up of Gd(III) atoms, 1,10-phenanthroline and fully or half-deproton-ated 5-nitro-benzene-1,3-dicarb-oxy-lic acid (H(2)L) ligands. The Gd(III) atom is coordinated in a distorted bicapped trigonal-prismatic fashion by six O atoms from two HL(-) and three L(2-) ligands, and by two N atoms from the 1,10-phenanthroline ligand. The L(2-) ligands bridge the Gd-phenanthroline units, forming chains running parallel to [100]. O-H?O hydrogen bonding as well as ?-? stacking inter-actions with an inter-planar distance of 3.599?(2)?Å assemble neighboring polymeric chains.

SUBMITTER: Wang J

PROVIDER: S-EPMC2983181 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[(μ(2)-3-carb-oxy-5-nitro-benzoato)(μ(3)-5-nitro-benzene-1,3-dicarboxyl-ato)(1,10-phenanthroline)gadolinium(III)].

Wang Jun J Fang Zhi-Li ZL

Acta crystallographica. Section E, Structure reports online 20100908 Pt 10

The crystal structure of the title complex, [Gd(C(8)H(3)NO(6))(C(8)H(4)NO(6))(C(12)H(8)N(2))](n), contains polymeric chains made up of Gd(III) atoms, 1,10-phenanthroline and fully or half-deproton-ated 5-nitro-benzene-1,3-dicarb-oxy-lic acid (H(2)L) ligands. The Gd(III) atom is coordinated in a distorted bicapped trigonal-prismatic fashion by six O atoms from two HL(-) and three L(2-) ligands, and by two N atoms from the 1,10-phenanthroline ligand. The L(2-) ligands bridge the Gd-phenanthroline ...[more]

PMID: 21587385

Similar Datasets

Poly[(μ(3)-biphenyl-3,3'-dicarboxyl-ato)(1,10-phenanthroline)cadmium].

Project description:In the title compound, [Cd(C(14)H(8)O(4))(C(12)H(8)N(2))](n), the Cd(II) ion is seven-coordinated in a distorted penta-gonal-bipyramidal coordination geometry by five O atoms from bridging biphenyl-3,3'-dicarboylate (dpda) ligands and two N atoms from a 1,10-phenanthroline (1,10-phen) ligand. In the crystal, dinuclear units with a Cd⋯Cd separation of 3.8208 (7) Å are observed. Each of these dinuclear units is bridged via 3,3'-bpda in a chelating/chelating and bridging fashion, generating a zigzag chain along the c axis. Neighboring chains are further packed via weak π-π inter-actions between inter-chain parallel 1,10-phen rings [centroid-centroid distance = 3.5197 (9) Å] into a three-dimensional supra-molecular architecture.

| S-EPMC3246978 | biostudies-literature

catena-Poly[[[(1,10-phenanthroline-κN,N')zinc]-μ-pyridine-2,3-dicarboxyl-ato-κN,O:O,O] monohydrate].

Project description:In the title complex, {[Zn(C(7)H(3)NO(4))(C(12)H(8)N(2))]·H(2)O}(n), the Zn(II) ion is in a distorted octa-hedral environment, defined by two N atoms from a chelating 1,10-phenanthroline (phen) ligand and one N atom and three O atoms from two pyridine-2,3-dicarboxyl-ate (2,3-pydc) ligands. The bridging 2,3-pydc ligands connect the Zn(II) ions into a chain extending along [010]. O-H⋯O hydrogen bonds between the uncoordinated water mol-ecules and the uncoordinated carboxyl-ate O atoms, as well as π-π inter-actions between the pyridine rings of the phen ligands [centroid-centroid distance = 3.557 (2) Å], are observed.

| S-EPMC3152098 | biostudies-literature

Tetra-kis(μ-2,4-difluoro-benzoato)bis-[(2,4-difluoro-benzoato)(1,10-phenanthroline)gadolinium(III)].

Project description:In the title compound, [Gd(2)(C(7)H(3)F(2)O(2))(6)(C(12)H(8)N(2))(2)], the asymmetric unit comprises one Gd(3+) cation chelated by two 2,4-difluoro-benzoate and one 1,10-phenanthroline ligands. Two cations are linked into a centrosymmetric dimer via three bridging carboxyl-ate groups of 2,4-difluoro-benzoate ligands. Each Gd(3+) ion is nine-coordinated by seven O atoms and two N atoms.

| S-EPMC2960912 | biostudies-literature

catena-Poly[[[aqua-(1,10-phenanthroline-κN,N')cadmium(II)]-μ-pyridine-2,3-dicarboxyl-ato-κN,O:O,O] dihydrate].

Project description:The title complex, {[Cd(C(7)H(3)NO(4))(C(12)H(8)N(2))(H(2)O)]·2H(2)O}(n), is a one-dimensional coordination polymer, wherein the Cd atom is seven-coordinated by two 1,10-phenanthroline N atoms, one N and three O atoms from two different pyridine-2,3-dicarboxyl-ate ligands, and one water mol-ecule. It is further extended to a two-dimensional layer structure by hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances of 3.560 (2) and 3.666 (2) Å]. There is a C4 water chain in the structure whose repeat unit contains four water mol-ecules with O⋯O distances in the range 2.748 (3)-2.795 (4) Å. One of the two H atoms of each water of hydration is statistically distributed over two positions with equal occupancy.

| S-EPMC2959933 | biostudies-literature

catena-Poly[[bis-(μ-3-carboxy-benzoato)bis-(1,10-phenanthroline)tricopper(II)]-di-μ(3)-isophthalato].

Project description:The title copper coordination polymer, [Cu(3)(C(8)H(4)O(4))(2)(C(8)H(5)O(4))(2)(C(10)H(8)N(2))(2)](n), was synthesized by reacting Cu(NO(3))(2), isophthalic acid and 1,10-phenanthroline under hydro-thermal conditions. The trinuclear unit presents a central almost planar CuO(4) chromophore with the cation on a symmetry center, and two symmetry-related CuN(2)O(3) groups with the metal centre in a distorted square-pyramidal environment. These units are bridged by isophthalate ligands into one-dimensional double-chain coordination polymers which are, in turn, connected by various π-π stacking inter-actions (face-to-face distance ca 3.45 Å) and O-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2959876 | biostudies-literature

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[[[aqua-(1,10-phenanthroline-?²N,N')zinc]-?-acetyl-ene-dicarboxyl-ato-?²O¹:O²] monohydrate].

Project description:In the title complex, {[Zn(C?O?)(C??H?N?)(H?O)]·H?O}(n), the penta-coordinated Zn(II) ion is bound to two N atoms of the 1,10-phenanthroline ligand, two O atoms from two bridging acetyl-enedicarboxyl-ate anions and a water O atom in a distorted trigonal-bipyramidal geometry. The crystal structure is characterized by polymeric zigzag chains running parallel to [2-10] and is stabilized by O-H?O hydrogen bonds.

| S-EPMC3393169 | biostudies-literature

catena-Poly[[[aqua-(1,10-phenanthro-line)manganese(II)]-μ-adamantane-1,3-dicarboxyl-ato] monohydrate].

Project description:In the title coordination polymer, {[Mn(C(12)H(14)O(4))(C(12)H(8)N(2))(H(2)O)]·H(2)O}(n), the Mn(II) atom has a highly distorted cis-MnN(2)O(4) octa-hedral geometry arising from its coordination by a bidentate phenanthroline ligand, a water mol-ecule and monodentate and bidentate adamantane-1,3-dicarboxyl-ate dianions. The bridging dianion leads to [001] chains in the crystal. The chains are linked by O-H⋯O hydrogen bonds, involving both the coordinated and uncoordinated water mol-ecules, thereby forming a two-dimensional network.

| S-EPMC3246965 | biostudies-literature

catena-Poly[[diaqua-(1,10-phenanthroline-?N,N')nickel(II)]-?-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O].

Project description:In the title complex, [Ni(C(9)H(4)N(2)O(4))(C(12)H(8)N(2))(H(2)O)(2)](n), the Ni(II) atom is hexa-coordinated by one N and one O atom from two different 1H-benzimidazole-5,6-dicarboxyl-ate ligands, two N atoms from one 1,10-phenanthroline ligand and two water mol-ecules. The flexible 1H-benzimidazole-5,6-dicarboxyl-ate ligands link the Ni(II) centres, forming an infinite zigzag chain parallel to [001]. The crystal packing is governed by inter-molecular hydrogen-bonding inter-actions of the O-H?O, N-H?O and C-H?O types.

| S-EPMC2969534 | 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

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