Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of catena-poly[di-ammonium [di-?-oxalato-cuprate(II)]].

ABSTRACT: The structure of the title compound, {(NH₄)₂[Cu(C₂O₄)₂]} _n , at 100?K has monoclinic (P2₁/c) symmetry with the Cu^II atom on an inversion center. The compound has a polymeric structure due to long Cu?O inter-actions which create [Cu(C₂O₄)₂] chains along the a axis. The structure also displays inter-molecular N-H?O hydrogen bonding, which links these chains into a three-dimensional network.

SUBMITTER: Dickie DA

PROVIDER: S-EPMC5137607 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of catena-poly[di-ammonium [di-μ-oxalato-cuprate(II)]].

Dickie Diane A DA Kemp Richard A RA

Acta crystallographica. Section E, Crystallographic communications 20161110 Pt 12

The structure of the title compound, {(NH4)2[Cu(C2O4)2]} n , at 100 K has monoclinic (P21/c) symmetry with the CuII atom on an inversion center. The compound has a polymeric structure due to long Cu⋯O inter-actions which create [Cu(C2O4)2] chains along the a axis. The structure also displays inter-molecular N-H⋯O hydrogen bonding, which links these ...[more]

PMID: 27980829

Similar Datasets

Crystal structure of the thermochromic bis-(di-ethyl-ammonium) tetra-chlorido-cuprate(II) complex.

Project description:In the structure of the title complex salt, (Et2NH2)2[CuCl4], the asymmetric unit consists of four unique di-ethyl-ammonium cations and three unique tetra-chlorido-cuprate anions. Two of the three anions are located with their copper atoms on independent crystallographic twofold axes, while the remaining tetra-chlorido-cuprate is located at a general position of the ortho-rhom-bic space group P21212. Two of the three Cu atoms adopt a distorted square-planar/disphenoidal geometry and the third Cu atom has a regular square-planar coordination environment. The di-ethyl-ammonium cations form an extensive hydrogen-bonded network through N-H⋯Cl inter-actions with the tetra-chlorido-cuprate anions, resulting in a two-dimensional sheet-like hydrogen-bonded network parallel to the ab direction. The complex was observed to undergo a color shift from deep green at room temperature to pale yellow at temperatures above 328 K.

| S-EPMC4704760 | biostudies-literature

Crystal structure of catena-poly[1,3-di-benzyl-benzimidazolium [[chlorido-mercurate(II)]-di-?-chlorido]].

Project description:The asymmetric unit of the polymeric title compound, {(C21H19N2)[HgCl3]} n , comprises one-half of the cationic mol-ecule, the other half being generated by application of twofold rotation symmetry, one Hg and two Cl atoms. The Hg(II) atom, lying on a twofold rotation axis, exhibits a distorted triangular coordination environment and is surrounded by three Cl atoms with Hg-Cl distances in the range 2.359?(2)-2.4754?(13)?Å. Two additional longer distances [Hg?Cl = 3.104?(14)?Å] lead to the formation of polymeric [HgCl1/1Cl4/2](-) chains extending along [001]. The crystal packing can be described by cationic layers alternating parallel to (-110) with the anionic chains located between the layers. The packing is consolidated by ?-? stacking inter-actions between the benzene rings of the central benzimidazole entities, with centroid-to-centroid distances of 3.643?(3)?Å.

| S-EPMC4719861 | biostudies-literature

Crystal structure of catena-poly[[aquadi-n-propyl-tin(IV)]-?-oxalato].

Project description:The title compound, [Sn(C3H7)2(H2O)(C2O4)] n , represents the first diorganotin(IV) oxalate hydrate to be structurally characterized. The tin(IV) atom of the one-dimensional coordination polymer is located on a twofold rotation axis and is coordinated by two chelating oxalate ligands with two slightly different Sn-O bond lengths of 2.290?(2) and 2.365?(2)?Å, two symmetry-related n-propyl groups with a Sn-C bond lengths of 2.127?(3)?Å, and a water mol-ecule with a Sn-O bond length of 2.262?(2)?Å. The coordination polyhedron around the Sn(IV) atom is a slightly distorted penta-gonal bipyramid with a nearly linear axis between the trans-oriented n-propyl groups [C-Sn-C = 176.8?(1)°]. The bond angles between the oxygen atoms of the equatorial plane range from 70.48?(6)° to 76.12?(8)°. A one-dimensional coordination polymer results from the less asymmetric bilateral coordination of the centrosymmetric oxalate anion, inter-nally reflected by two slightly different C-O bond lengths of 1.248?(3) and 1.254?(3)?Å. The chains of the polymer propagate parallel to [001] and are held together by hydrogen bonds between water mol-ecules and oxalate anions of neighboring chains, leading to a two-dimensional network parallel to (100).

| S-EPMC4158495 | biostudies-literature

catena-Poly[[di-tert-butyl-tin(IV)]-μ-oxalato].

Project description:The title compound, [Sn(C4H9)2(C2O4)] n , an unexpected side product in the reaction of di-tert-butyl-tin(IV) oxide with nitric acid, represents the first diorganotin(IV) oxalate to be structurally characterized. The Sn(IV) atom of the one-dimensional coordination polymer is located on a mirror plane and is coordinated by two chelating oxalate ions with two rather different Sn-O bond lengths of 2.150 (1) and 2.425 (1) Å, and two t-butyl groups with Sn-C bond lengths of 2.186 (2) and 2.190 (2) Å. The coordination polyhedron around the Sn(IV) atom is a distorted tetra-gonal disphenoid. The centrosymmetric oxalate ion also has an asymmetric coordination geometry, as reflected by the two slightly different C-O bond lengths of 1.242 (2) and 1.269 (2) Å. The chains of the polymer propagate along the b-axis direction. Only van der Waals inter-actions are observed between the chains.

| S-EPMC3998617 | biostudies-literature

catena-Poly[[(1,10-phenanthroline)copper(II)]-μ-oxalato].

Project description:In the title coordination polymer, [Cu(C(2)O(4))(C(12)H(8)N(2))](n), the Cu(II) atom is six-coordinated by four O atoms from two oxalate ligands and two N atoms from one 1,10-phenanthroline (phen) ligand in a distorted octa-hedral coordination geometry. The oxalate anions act as bis-bidentate ligands, bridging the Cu-phen units in zigzag chains extending parallel to [100]. Inter-chain C-H⋯O hydrogen bonding and π-π stacking inter-actions [centroid-centroid distance = 3.7439 (17) Å] assemble neighboring chains, forming a three-dimensional supra-molecular network.

| S-EPMC2983185 | biostudies-literature

Crystal structure of catena-poly[[di-aqua-cadmium(II)]-μ-3,3'-(1,3-phenyl-ene)diacrylato].

Project description:In the crystal of the title polymeric complex, [Cd(C12H8O4)(H2O)2] n , the Cd(II) cation, located on a twofold rotation axis, is coordinated by two water mol-ecules and chelated by two phenyl-enediacrylate anions (mpda) in a distorted octa-hedral geometry. The mpda anions bridge the Cd(II) cations, forming helical chains propagating along the c-axis direction. The mpba anion has twofold symmetry with two benzene C atoms located on the twofold rotation axis. In the crystal, O-H⋯O hydrogen bonds link the polymeric helical chains into a three-dimensional supra-molecular architecture.

| S-EPMC4438799 | biostudies-literature

Crystal structure of poly[?6-adipato-di-aquadi-?2-oxalato-didysprosium(III)].

Project description:In the title coordination polymer, [Dy2(C6H8O4)(C2O4)2(H2O)2] n , the asymmetric unit consists of one Dy(3+) cation, one half of an adipate anion, two halves of oxalate anions and one coordinating water mol-ecule. The adipate and oxalate ions are located on centres of inversion. The Dy(3+) cation has a distorted tricapped trigonal-prismatic geometry and is coordinated by nine O atoms, four belonging to three adipate anions, four to two oxalate anions and one from an aqua ligand. The cations are bridged by adipate ligands, generating a two-dimensional network parallel to (010). This network is further extended into three dimensions by coordination of the rigid oxalate ligands and is further consolidated by O-H?O hydrogen bonds. A part of the adipate anion is disordered over two positions in a 0.75:0.25 ratio.

| S-EPMC4257430 | biostudies-literature

Di-methyl-ammonium tetra-aqua-(hydrogen-sulfato)-sulfato-cuprate(II).

Project description:In the title salt, [(CH3)2NH2][Cu(HSO4)(SO4)(H2O)4], one type of cation and anion is present in the asymmetric unit. The Cu(II) atom in the complex anion, [Cu(HSO4)(SO4)(H2O)4](-), has a tetra-gonal bipyramidal [4 + 2] coordination caused by a Jahn-Teller distortion, with the aqua ligands in equatorial and two O atoms of tetra-hedral HSO4 and SO4 units in apical positions. Both types of ions form sheets parallel to (010). The inter-connection within and between the sheets is reinforced by O-H⋯O and N-H⋯O hydrogen bonds, respectively, involving the water mol-ecules, the two types of sulfate anions and the ammonium groups.

| S-EPMC3998589 | biostudies-literature

Crystal structure of catena-poly[[cadmium(II)-di-?2-bromido-?2-l-proline-?(2) O:O'] monohydrate].

Project description:In the title coordination polymer, {[CdBr2(C5H9NO2)]·H2O} n , the Cd(II) ion is coordinated by four bromido ligands and two carboxyl-ate oxygen atoms of two symmetry-related proline ligands, which exist in a zwitterionic form, in a distorted octa-hedral geometry. There is an intra-molecular N-H?O hydrogen bond between the amino group and the carboxyl-ate fragment. Each coordinating ligand bridges two Cd(II) atoms, thus forming polymeric chains running along the c-axis direction. The water mol-ecules of crystallization serve as donors for the weak inter-molecular O-H?O and O-H?Br hydrogen bonds that link adjacent polymeric chains, thus forming a three-dimensional structure. N-H?O and N-H?Br hydrogen bonds also occur.

| S-EPMC4384587 | biostudies-literature

Crystal structure of catena-poly[[[tri-aqua-strontium]-di-μ2-glycinato] dibromide].

Project description:In the title coordination polymer, {[Sr(C2H5NO2)2(H2O)3]Br2} n , the Sr(2+) ion and one of the water mol-ecules are located on twofold rotation axes. The alkaline earth ion is nine-coordinated by three water O atoms and six O atoms of the carboxyl-ate groups of four glycine ligands, two in a chelating mode and two in a monodentate mode. The glycine mol-ecule exists in a zwitterionic form and bridges the cations into chains parallel to [001]. The Br(-) counter-anions are located between the chains. Inter-molecular hydrogen bonds are formed between the amino and carboxyl-ate groups of neighbouring glycine ligands, generating a head-to-tail sequence. Adjacent head-to-tail sequences are further inter-connected by inter-molecular N-H⋯Br hydrogen-bonding inter-actions into sheets parallel to (100). O-H⋯Br and O-H⋯O hydrogen bonds involving the coordinating water mol-ecules are also present, consolidating the three-dimensional hydrogen-bonding network.

| S-EPMC4518974 | biostudies-literature