Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Ghadermazi M

PROVIDER: S-EPMC3052029 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Ghadermazi Mohammad M Olmstead Marilyn M MM Rostami Shahideh S Attar Gharamaleki Jafar J

Acta crystallographica. Section E, Structure reports online 20110202 Pt 3

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 sulfanediyld ...[more]

PMID: 21522233

Similar Datasets

catena-Poly[[[tetra-kis(μ-2-butenoato)dicopper(II)]-μ-2-butenoato-[diaqua-(2-butenoato)holmium(III)]-di-μ-2-butenoato-[diaqua-(2-butenoato)holmium(III)]-μ-2-butenoato] trihydrate].

Project description:The title compound {[Cu(2)Ho(2)(C(4)H(5)O(2))(10)(H(2)O)(4)]·3H(2)O}(n), is a one-dimensional 3d/4f organic-inorganic hybrid complex, the Ho(III) member of the isotypic lanthanoid series with Ln = Gd(III), Er(III) and Y(III). The structure shows an alternation of Cu(2) and Ho(2) dinuclear units bridged by the ligands and hydrogen bonds only. The chains are composed of Cu(2) classical dinuclear η(1):η(1):μ(2) fourfold bridges [Cu⋯Cu = 2.6417 (9) Å] and of Ho(2) units bridged by two η(2):η(1):μ(2) carboxyl-ate units. This results in distorted square-based pyramidal CuO(5) units and irregular HoO(9) units. The alternating Cu(2) and Ho(2) units are bridged into linear arrays along the a axis by a set of one η(2):η(1):μ(2) carboxyl-ate O atom and two hydrogen bonds with Cu⋯Ho separations of 4.4883 (10) and 4.5086 (10) Å. The distance between adjacent chains, as calculated by the closest and furthest distances between two chains, covers the range 10-14 Å. The H atoms of the water mol-ecules could not be located, but the O⋯O separations for these species suggest the presence of O-H⋯O hydrogen bonds.

| S-EPMC2959781 | 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

catena-Poly[[[diaqua-lanthanum(III)]-tetra-kis[μ-N-(4-acetamido-phenyl-sulfon-yl)-glycinato]-[diaqua-lanthanum(III)]-bis-[μ-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⋯π and π-π stacking inter-actions can be neglected with regard to stabilizing the network.

| S-EPMC2959705 | biostudies-literature

catena-Poly[(S)-2-methyl-piperazine-1,4-diium [[trichloridobismuthate(III)]-di-μ-chlorido]].

Project description:In the crystal structure of the title compound, {(C(5)H(14)N(2))[BiCl(5)]}(n), the Bi(III) cation is coordinated by six Cl(-) anions in a distorted octa-hedral geometry. Two Cl(-) anions bridge neighboring Bi(III) cations, forming a zigzag polymeric chain along the a axis. The discrete methylpiperazinediium cation adopts a normal chair conformation and is linked to the polymeric chains by N-H⋯Cl hydrogen bonding.

| S-EPMC3007984 | biostudies-literature

(R)-2-Methyl-piperazine-1,4-diium diaqua-tetra-chloridoferrate(II).

Project description:In the title salt, (C(5)H(14)N(2))[FeCl(4)(H(2)O)(2)], the Fe(II) cation is coordinated by four Cl(-) anions and two water mol-ecules in a distorted octa-hedral geometry. The piperazine ring adopts a normal chair conformation. Inter-molecular N-H?Cl, N-H?(Cl,Cl) and O-H?Cl hydrogen bonding is present in the crystal structure.

| S-EPMC2983358 | biostudies-literature

Poly[tetra-?-aqua-diaqua-tetra-kis-[?-(E)-2-nitro-cinnamato]tetra-rubidium].

Project description:In the structure of the title compound, [Rb(4)(C(9)H(6)NO(4))(4)(H(2)O)(6)](n), the asymmetric unit comprises four rubidium cations, two of which have an RbO(7) coordination polyhedron with a monocapped distorted octa-hedral stereochemistry and two of which have a distorted RbO(6) octa-hedral coordination. The bonding about both the seven-coordinate cations is similar, comprising one monodentate water mol-ecule together with three bridging water mol-ecules and three carboxyl-ate O-atom donors, two of which are bridging. The environments around the six-coordinate cations are also similar, comprising a monodentate nitro O-atom donor, a bridging water mol-ecule and four bridging carboxyl-ate O-atom donors [overall Rb-O range = 2.849?(2)-3.190?(2)?Å]. The coordination leads to a two-dimensional polymeric structure extending parallel to (001), which is stabilized by inter-layer water O-H?O hydrogen-bonding associations to water, carboxyl and nitro O-atom acceptors, together with weak inter-ring ?-? inter-actions [minimum ring centroid-centroid separation = 3.5319?(19)?Å].

| S-EPMC3247005 | biostudies-literature

[μ-N,N,N',N'-Tetra-kis(2-pyridyl-meth-yl)butane-1,4-diamine]-bis-[dichlorido-copper(II)] trihydrate.

Project description:The title dinuclear copper complex, [Cu(2)Cl(4)(C(28)H(32)N(6))]·3H(2)O, is located on a crystallographic inversion center. The unique Cu(II) ion is coordinated in a slightly distorted square-pyramidal environment in which the N atoms of the dipicolyl-amine group and a chloride ligand form the basal plane. The apical position is occupied by a second chloride atom. While the Cu-N distances of the pyridine N atoms are the same within expermental error, the Cu-N distance to the tertiary N atom is slightly elongated. The apical Cu-Cl distance is elongated due to typical Jahn-Teller distortion. One of the water O atoms was refined as disordered over two sites with occupancies 0.734 (17):0.266 (17) and another with half occupancy. H atoms for the disordered solvent atoms were not included in the refinement.

| S-EPMC2983221 | biostudies-literature

Poly[[tetra-aqua-tetra-kis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]cobalt(II)dierbium(III)] tetra-hydrate].

Project description:In the centrosymmetric polymeric title compound, {[CoEr(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Er(III) cation has a coordination number of eight and is surrounded by seven carboxyl-ate O atoms from four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands and one water mol-ecule, forming a distorted square-anti-prismatic arrangement. The Co(II) cation is located on an inversion center and is coordinated by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules in a distorted octa-hedral geometry. The asymmetric unit contains two anionic L ligands. One bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups and one pyridine N atom, while the other bridges two Er(III) cations and one Co(II) cation through two carboxyl-ate groups. Extensive O-H⋯O, O-H⋯N and N-H⋯O hydrogen-bonding inter-actions are present in the crystal, involving all uncoordinated water mol-ecules and the uncoordinated pyridine N atom of one of the ligands bonded to an adjacent coordinated water mol-ecule. The title compound is isotypic with the gadolinium analogue.

| S-EPMC3246915 | biostudies-literature

Poly[[tetra-aqua-tetra-kis-[μ(3)-5-(pyridine-4-carboxamido)-isophthalato]-cobalt(II)-diholmium(III)] tetra-hydrate].

Project description:In the centrosymmetric polymeric title compound, {[CoHo(2)(C(14)H(8)N(2)O(5))(4)(H(2)O)(4)]·4H(2)O}(n), the Ho(III) ion is coordinated by one water mol-ecule and four 5-(pyridine-4-carboxamido)-isophthalate (L) ligands in a distorted square-anti-prismatic arrangement. The Co(II) ion, located on an inversion center, is coordinated by two pyridine N atoms, two carboxyl-ate O atoms and two water mol-ecules in a distorted octa-hedral geometry. One L ligand bridges two Ho ions and one Co ion through two carboxyl-ate groups and one pyridine N atom. The other L ligand bridges two Ho ions and one Co ion through two carboxyl-ate groups, while the uncoordinated pyridine N atom accepts a hydrogen bond from an adjacent coordinated water mol-ecule. Extensive O-H⋯O, N-H⋯O and O-H⋯N hydrogen bonding is present in the crystal.

| S-EPMC3246991 | biostudies-literature

Poly[diaqua-(?(4)-benzene-1,2,4,5-tetra-carboxyl-ato)[?(2)-1,4-bis-(3-pyridyl-meth-yl)piperazine]dizinc(II)].

Project description:In the title compound, [Zn(2)(C(10)H(2)O(8))(C(16)H(20)N(4))(H(2)O)(2)](n), the Zn(II) atom is in a distorted tetra-hedral environment, being coordinated by one N atom from a 1,4-bis-(3-pyridyl-meth-yl)piperazine (3-bpmp) ligand, two O atoms from two carboxyl-ate groups of the pyromellitate anion and one water mol-ecule. The distortion of the tetrahedral coordination may be ascribed to the hydrogen bonds between the carboxyl-ate groups and the adjacent water mol-ecules. Each Zn(II) atom links to three organic ligands and each pyromellitate ligand coordinates to four Zn(II) atoms, forming a (3,4)-connected infinite three-dimensional framework. O-H?N inter-actions also occur.

| S-EPMC3120526 | 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