Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tetra-kis(?-5-bromo-nicotinato)-?O,O':O';?O:O,O';?O:O'-bis-[diaqua-(5-bromo-nicotinato-?O,O')neodymium(III)] dihydrate.

ABSTRACT: In the title compound, [Nd(2)(C(6)H(3)BrNO(2))(6)(H(2)O)(4)]·2H(2)O, the Nd(III) ion is coordinated by nine O atoms from one chelating 5-bromo-nicotinate ligand, four bridging 5-bromo-nicotinate ligands and two water mol-ecules, exhibiting a distorted three-capped triangular-prismatic geometry. Two Nd(III) ions are bridged by four carboxyl-ate groups in bi- and tridentate modes, forming a centrosymmetric dinuclear unit, with an Nd?Nd distance of 4.0021?(5)?Å, and intra-molecular ?-? inter-actions between the pyridine rings [centroid-centroid distance = 3.960?(2)?Å]. Inter-molecular ?-? inter-actions [centroid-centroid distances = 3.820?(2) and 3.804?(2)?Å] and O-H?N and O-H?O hydrogen bonds connect the dinuclear mol-ecules into a three-dimensional supra-molecular network.

SUBMITTER: Huang J

PROVIDER: S-EPMC3152138 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Tetra-kis(μ-5-bromo-nicotinato)-κO,O':O';κO:O,O';κO:O'-bis-[diaqua-(5-bromo-nicotinato-κO,O')neodymium(III)] dihydrate.

Huang Jing J Zhang Jin J Chen Hong-Ji HJ

Acta crystallographica. Section E, Structure reports online 20110625 Pt 7

In the title compound, [Nd(2)(C(6)H(3)BrNO(2))(6)(H(2)O)(4)]·2H(2)O, the Nd(III) ion is coordinated by nine O atoms from one chelating 5-bromo-nicotinate ligand, four bridging 5-bromo-nicotinate ligands and two water mol-ecules, exhibiting a distorted three-capped triangular-prismatic geometry. Two Nd(III) ions are bridged by four carboxyl-ate groups in bi- and tridentate modes, forming a centrosymmetric dinuclear unit, with an Nd⋯Nd distance of 4.0021 (5) Å, and intra-molecular π-π inter-action ...[more]

PMID: 21836949

Similar Datasets

Poly[[di-?(3)-nicotinato-hemi-?(4)-oxalato-hemi-?(2)-oxalato-neodymium(III)silver(I)] dihydrate].

Project description:The asymmetric unit of the title compound, {[AgNd(C(6)H(4)NO(2))(2)(C(2)O(4))]·2H(2)O}(n), contains one Nd(III) atom, one Ag(I) atom, one oxalate ligand, two nicotinate ligands and two uncoordinated water mol-ecules. The Nd(III) atom is eight-coordinated in a distorted square-anti-prismatic coordination geometry by four O atoms from two oxalate ligands and four O atoms from four nicotinate ligands. The Ag(I) atom has a T-shaped configuration, defined by two N atoms from two nicotinate ligands and one O atom from one oxalate ligand. The nicotinate and oxalate ligands link the Nd and Ag atoms into a three-dimensional coordination framework. O-H?O and O-H?N hydrogen bonds donated by water mol-ecules are observed in the crystal.

| S-EPMC2968511 | biostudies-literature

Tetra-kis(?-3-aza-niumylbenzoato)-?O:O,O';?O,O':O;?O:O'-bis-[tetra-aqua-neodymium(III)] hexa-chloride tetra-hydrate.

Project description:The structure of the title compound, [Nd(2)(C(7)H(7)NO(2))(4)(H(2)O)(8)]Cl(6)·4H(2)O, consists of dimeric cationic units related by an inversion centre. The two Nd(III) atoms are linked by two bridging bidentate carboxyl-ate groups and two bidentate chelating bridging carboxyl-ate groups, with an Nd?Nd separation of 4.1259?(4)?Å. Each Nd(III) atom is nine-coordin-ated by five O atoms from the carboxyl-ate groups of the zwitterionic azaniumylbenzoate ligands and four from water mol-ecules. They adopt a distorted tricapped trigonal-prismatic arrangement. The dihedral angle between the mean planes of the benzene ring and the carboxlate groups are 7.7?(6) and 24.4?(5)°. The two carboxyl-ate groups are almost perpendicular to one another with a dihedral angle of 84.0?(7)°, while the two benzene rings are inclined to one another by 81.8?(2)°. The mol-ecular packing is stabilized by O-H(water)?Cl, O-H(water)?N, N-H?Cl, N-H?O, and O-H(water)?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.500?(3)?Å] between symmetry-related benzene rings. All of the Cl(-) anions and the uncoordinated water molecules are disordered over two sets of sites with different occupancy ratios.

| S-EPMC3089227 | biostudies-literature

catena-Poly[[[diaqua-thulium(III)]-μ-6-carboxy-nicotinato-μ-pyridine-2,5-di-carboxyl-ato] dihydrate].

Project description:The title compound, {[Tm(C(7)H(3)NO(4))(C(7)H(4)NO(4))(H(2)O)(2)]·2H(2)O}(n), is isotypic with the analogous Tb(III) compound [Li et al. (2009 ▶). Acta Cryst. E65, m410]. All interatomic distances and angles and the hydrogen-bond geometries are very similar for the two structures. The refined Flack parameter of 0.49 (2) suggests inversion twinning.

| S-EPMC2968913 | biostudies-literature

catena-Poly[[[diaqua-terbium(III)]-μ-6-carboxy-nicotinato-μ-pyridine-2,5-di-carboxyl-ato] dihydrate].

Project description:The title compound, {[Tb(C(7)H(3)NO(4))(C(7)H(4)NO(4))(H(2)O)(2)]·2H(2)O}(n), is isotypic with the analogous Tm(III) compound [Li, Zhang, Wang & Bai (2009). Acta Cryst. E65, m411]. The Tb(III) atom is octa-coordinated by two water mol-ecules and by four carboxyl-ate O atoms and two pyridyl N atoms from two pyridine-2,5-dicarboxyl-ate (2,5-pydc) and two 6-carboxy-nicotinate (2,5-Hpydc) ligands. The 2,5-pydc and 2,5-Hpydc ligands bridge Tb(III) atoms, generating helical coordination polymers along [001]. An extensive network of O-H⋯O hydrogen bonds is formed between the coordination polymers and the uncoordinated water mol-ecules. The refined Flack parameter of 0.54 (2) suggests inversion twinning.

| S-EPMC2968984 | biostudies-literature

Poly[[diaqua-tetra-kis-(μ(2)-benzene-1,4-di-carbonitrile-κN:N')iron(II)] bis-[tetra-chlorido-ferrate(III)] nitro-methane tetra-solvate].

Project description:In the title compound, {[Fe(II)(C(8)H(4)N(2))(2)(H(2)O)(2)][Fe(III)Cl(4)](2)·4CH(3)NO(2)}(n), the Fe(II) and Fe(III) ions are hexa- and tetra-coordinated, respectively. Each unique benzene-1,4-dicarbonitrile mol-ecule lies across a crystallographic inversion centre and bridges two Fe(II) ions (each situated on an inversion centre), generating two-dimensional (4,4) square grid layers. The tetra-chloridoferrate(III) anions and nitro-methane solvent mol-ecules lie between the square grid layers and are further link to the adjacent layers into a three-dimensional supra-molecular structure through O-H⋯Cl and O-H⋯O hydrogen bonds.

| S-EPMC3274928 | biostudies-literature

Poly[[tetra-aqua-bis-(?(3)-imidazole-4,5-dicarboxyl-ato)tetra-kis-(?(2)-imidazole-4,5-dicarboxyl-ato)tricobalt(II)dilutetium(III)] dihydrate].

Project description:In the title compound, {[Co(3)Lu(2)(C(5)H(2)N(2)O(4))(6)(H(2)O)(4)]·2H(2)O}(n), the Lu(III) ions are seven-coordinated in a monocapped trigonal prismatic coordination geometry by six O atoms from three imidazole-4,5-dicarboxyl-ate ligands and one water O atom. The Co(II) ions are six-coordinated in a slightly distorted octa-hedral geometry and exhibit two types of coordination environments. One Co(II) ion, located on an inversion center, is coordinated by two water O atoms as well as two O atoms and two N atoms from two imidazole-4,5-dicarboxyl-ate ligands. The other Co(II) ion is bonded to four O atoms and two N atoms from four imidazole-4,5-dicarboxyl-ate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate ligands, generating a three-dimensional network. The crystal structure is further stabilized by N-H?O, O-H?O, and C-H?O hydrogen-bonding inter-actions between the water mol-ecules and the imidazole-4,5-dicarboxyl-ate ligands.

| S-EPMC3238609 | biostudies-literature

Poly[penta-aqua-tetra-kis(?(2)-nicotinato-?N:O)(perchlorato-?O)lanthanum(III)disilver(I)].

Project description:In the title complex, [Ag(2)La(C(6)H(4)NO(2))(4)(ClO(4))(H(2)O)(5)](n), the La(III) atom, lying on a twofold rotation axis, is eight-coordinated by four O atoms from four nicotinate (nic) ligands and four water mol-ecules in a distorted square-anti-prismatic coordination geometry. The Ag(I) atom is coordinated in an almost linear fashion by two pyridyl N atoms of two nic ligands. The linear coordination is augmented by weak inter-actions with one O atom from a half-occupied ClO(4) (-) anion and a water mol-ecule lying on a twofold axis. Two Ag(nic)(2) units connect two La atoms, forming a cyclic unit. These units are further extended into an infinite zigzag chain. The chains are bridged by the disordered perchlorate ions via weak Ag-O [2.678?(2)?Å] inter-actions. O-H?O hydrogen bonds, weak Ag?Ag [3.3340?(15)?Å] inter-actions and ?-? inter-actions between the pyridyl rings [centroid-centroid distance = 3.656?(2)?Å] lead to a three-dimensional network.

| S-EPMC2977437 | biostudies-literature

Tetra-kis(?-6-hydr-oxy-1-naphthoato)bis-[(6-hydr-oxy-1-naphthoato)(1,10-phenanthroline)europium(III)] dihydrate.

Project description:The title complex, [Eu(2)(C(11)H(7)O(3))(6)(C(12)H(8)N(2))(2)]·2H(2)O, has a centrosymmetric binuclear cage structure in which the two Eu(III) ions are both nine-coordinated and bridged by 6-hy-droxy-1-naphthoate (L) ligands, with an Eu? Eu separation of 4.1594?(4)?Å. The remaining coordination sites are occupied by two N atoms from one 1,10-phenanthroline (phen) and two O atoms from an L ligand. The six 6-hydr-oxy-1-naphthoate groups coordinate each Eu(III) atom in three different ways, namely ?(2)-?(1):?(1)-bridging, ?(1)-?(1):?(1)-chelating, and ?(2)-?(1):?(2)-chelating/bridging modes. Adjacent discrete dinuclear units are linked into a two-dimensional sheet parallel to (011) by inter-molecular O-H?O hydrogen-bonding inter-actions. The sheets are cross-linked by water mol-ecules, forming a three-dimensional network. In addition, ?-? stacking inter-actions, with a centroid-centroid separation of 3.547?(2)?Å are observed.

| S-EPMC2972167 | biostudies-literature

catena-Poly[[[diaqua-lanthanum(III)]-tetra-kis[?-N-(4-acetamido-phenyl-sulfon-yl)-glycinato]-[diaqua-lanthanum(III)]-bis-[?-N-(4-acetamido-phenyl-sulfon-yl)-glycinato]] 4,4'-bipyridine disolvate tetra-deca-hydrate].

Project description:In the title compound, {[La(2)(C(10)H(11)N(2)O(5)S)(6)(H(2)O)(4)]·2C(10)H(8)N(2)·14H(2)O}(n), the La(III) ions are in a slightly distorted bicapped trigonal prismatic geometry, and are linked by six carboxyl-ate groups in a syn-syn bidentate bridging fashion to form a one-dimensional inorganic-organic alternating linear chain. These polymeric chains generate microchannels extending along [100], and these cavities are occupied by discrete tetra-deca-meric water clusters, which inter-act with their surroundings and finally furnish the three-dimensional supra-molecular network via 15 O-H?O, one O-H?S, two O-H?N and six N-H?O classical hydrogen bonds. 4,4-Bipyridine acts as an inserting component and hydrogen-bond acceptor, and it is a nonplanar mol-ecule with a dihedral angle of 33.12?(13)° between the pyridine rings. Owing to the numerous classical hydrogen bonds, the observed weak inter-molecular C-H?O, C-H?? and ?-? stacking inter-actions can be neglected with regard to stabilizing the network.

| S-EPMC2959705 | biostudies-literature

Poly[[piperazine-1,4-dium [diaqua-tetra-kis-(μ-sulfanediyldiacetato)-dicerate(III)]] trihydrate].

Project description:The title compound, (C(4)H(12)N(2))[Ce(2)(C(4)H(4)O(4)S)(4)(H(2)O)(2)]·3H(2)O, features a polymeric anion with a centrosymmetric Ce(2)O(2) core and a Ce⋯Ce distance of 4.3625 (4) Å. The anions form ribbons {[Ce(2)(C(4)H(4)O(4)S)(4)(H(2)O)(2)](2-)}(n) extending along [100]. The doubly protonated piperazinium cations reside on centers of inversion and link the polymeric ribbons via N-H⋯O hydrogen bonding. Each Ce(III) cation is ten-coordinated by an O(2)S donor set from two tridentate sulfanediyldiacetate (tda) ligands, one water mol-ecule and three other tda O donors from adjacent {Ce(tda)(2)(H(2)O)} units in a distorted bicapped cubic environment. Additional O-H⋯O hydrogen bonding involving the coordinated and solvent water mol-ecules is also present. H atoms of the crystal water molecules could not be located and were not included in the refinement.

| S-EPMC3052029 | 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