Browse
Submit Data
Databases
API
Help

Dataset Information

57 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of catena-poly[[tetra-aqua-magnesium]-μ-(di-hydrogen hypodiphosphato)-κ(2) O:O'].

ABSTRACT: The crystal structure of the title compound, [Mg(H2P2O6)(H2O)4] n , is built up from (H2P2O6)(2-) anions bridging Mg(2+) cations into chains extending parallel to [011]. The Mg(2+) ion is located on an inversion centre and is octa-hedrally coordinated by the O atoms of two (H2P2O6)(2-) anions and four water mol-ecules. The centrosymmetric (H2P2O6)(2-) anion has a staggered conformation whereby the tetra-valent phospho-rus atom is surrounded tetra-hedrally by three O atoms and by one symmetry-related P atom. A three-dimensional O-H⋯O hydrogen-bonded network of medium strength involving the P-OH group of the anion and the water mol-ecules is present.

SUBMITTER: Gjikaj M

PROVIDER: S-EPMC4518914 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of catena-poly[[tetra-aqua-magnesium]-μ-(di-hydrogen hypodiphosphato)-κ(2) O:O'].

Gjikaj Mimoza M Haase Madeline M

Acta crystallographica. Section E, Crystallographic communications 20150627 Pt 7

The crystal structure of the title compound, [Mg(H2P2O6)(H2O)4] n , is built up from (H2P2O6)(2-) anions bridging Mg(2+) cations into chains extending parallel to [011]. The Mg(2+) ion is located on an inversion centre and is octa-hedrally coordinated by the O atoms of two (H2P2O6)(2-) anions and four water mol-ecules. The centrosymmetric (H2P2O6)(2-) anion has a staggered conformation whereby the tetra-valent phospho-rus atom is surrounded tetra-hedrally by three O atoms and by one symmetry-rel ...[more]

PMID: 26279888

Similar Datasets

catena-Poly[[[tetra-aqua-lanthanum(III)]-di-μ-isonicotinato-κ(4)O:O'] chloride].

Project description:In the title compound, {[La(C(6)H(4)NO(2))(2)(H(2)O)(4)]Cl}(n), the La(III) atom lies on a twofold rotation axis and is eight-coordinated by four O atoms from four isonicotinate ligands and four water mol-ecules in a distorted square-anti-prismatic coodination environment. Adjacent La(III) atoms are bridged by two carboxyl-ate groups from two isonicotinate ligands, forming an extended chain along [001]. These chains are linked through O-H⋯N hydrogen bonds into a three-dimensional network with channels in which the chloride anions form O-H⋯Cl hydrogen bonds. Intra-chain O-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.908 (2) Å] are also observed.

| S-EPMC3393223 | biostudies-literature

catena-Poly[[[tetra-aqua-neodymium(III)]-di-μ-isonicotinato] chloride].

Project description:In the title complex, {[Nd(C(6)H(4)NO(2))(2)(H(2)O)(4)]Cl}(n), the Nd(III) cation is located on a twofold rotation axis and coordinated by four isonicotiniate anions and four water mol-ecules in a distorted square-anti-prismatic geometry. The carboxyl-ate groups of the isonicotinate anions bridge the Nd(III) cations, forming polymeric chains running along the c axis. The Cl(-) anion is located on a twofold rotation axis and is linked to the polymeric chains via O-H⋯Cl hydrogen bonding. Inter-molecular O-H⋯O and O-H⋯N hydrogen bonds are also present in the crystal structure.

| S-EPMC3274899 | biostudies-literature

catena-Poly[potassium-di-μ-aqua-μ-4-(5-tetra-zolio)pyridine].

Project description:The title compound, [K(C(6)H(4)N(5))(H(2)O)(2)](n), was synthesized by hydro-thermal reaction of KOH with 4-(5-tetra-zolio)pyridine. The K atom has a distorted octa-hedral coordination environment and is coordinated by two axial N atoms from the organic ligand and by four water mol-ecules in the equatorial plane. The mol-ecules as a whole are located on crystallographic mirror planes; the K atom is also located on an inversion center. Both the water mol-ecules and the organic ligands act as bridges to link symmetrically the adjacent K atoms into polymeric chains parallel to the c axis. O-H⋯N hydrogen bonds involving the water O atoms and aromatic π-π inter-actions [centroid-centroid distance 3.80 (2) Å] between the pyridine and tetra-zole rings build up an infinite three-dimensional network.

| S-EPMC2969650 | biostudies-literature

catena-Poly[[[tetra-aqua-magnesium]-trans-μ-[(piperazine-1,4-diium-1,4-di-yl)bis-(methyl-ene)]di-phospho-nato] hemihydrate].

Project description:The structure of the title polymer, }[Mg(C6H14N2O6P2)(H2O)4]·0.5H2O} n , is based on centrosymmetric MgO6 octahedra, which are linked by [(piperazine-1,4-diium-1,4-di-yl)bis-(methyl-ene)]di-phospho-nate ligands, forming chains parallel to [1-1-1]. These chains are connected via hydrogen bonds primarily formed between the phospho-nate groups and water mol-ecules. The latter constitute four of the corners of the MgO6 polyhedra and bind to the O atoms of the phospho-nate groups of neighbouring chains. The lattice water molecule is disordered around an inversion centre, exhibiting an occupancy of 0.25.

| S-EPMC3793689 | biostudies-literature

catena-Poly[[[tetra-aqua-samarium(III)]-di-μ-isonicotinato-κO:O'] chloride].

Project description:In the structure of the title compound, {[Sm(C(6)H(4)NO(2))(2)(H(2)O)(4)]Cl}(n), the unique Sm(III) atom lies on a crystallographic twofold axis and is eight-coordinated by four O atoms from four isonicotinate ligands and four water mol-ecules in a slightly distorted square-anti-prismatic coodination environment. The Sm(III) atoms are bridged by two carboxyl-ate groups of two isonicotinate ligands, forming an extended chain along the c-axis direction. These chains are cross-linked through hydrogen bonds, forming a three-dimensional framework, with channels which accommodate the chloride anions.

| S-EPMC2914939 | biostudies-literature

Crystal structure of catena-poly[[[di-aqua-cobalt(II)]-bis-(μ-hex-3-enedi-nitrile-κ(2) N:N')] bis-(tetra-fluorido-borate)].

Project description:In the structure of the title salt, [Co(C6H6N2)2(H2O)2](BF4)2, the Co(II) atom is located on an inversion centre. The transition metal is in a slightly distorted octa-hedral coordination environment, defined by the cyano N atoms of four hex-3-enedi-nitrile ligands in equatorial positions and the O atoms of two water mol-ecules in axial positions. The bridging mode of the hex-3-enedi-nitrile ligands leads to the formation of cationic chains extending parallel to [1-10]. The BF4 (-) counter-anion is disordered over two sets of sites [occupancy ratio = 0.512 (19):0.489 (19)]. It is located in the voids between the cationic chains and is connected to the aqua ligands of the latter through O-H⋯F hydrogen bonds. One methyl-ene H atom of the hex-3-enedi-nitrile ligand forms another and weak C-H⋯O hydrogen bond with a water O atom of a neighbouring chain, thus consolidating the three-dimensional network structure.

| S-EPMC4459353 | biostudies-literature

catena-Poly[[tetra-aqua-cadmium]-μ-5,5'-(1,4-phenyl-ene)di(tetra-zol-2-ido)-κ(2) N (2):N (2')].

Project description:In the title compound, [Cd(C8H4N8)(H2O)4] n , 5,5'-(1,4-phenyl-ene)di(tetra-zol-2-ide) (L) ligands bridge Cd(II) atoms into polymeric chains along [201]. The Cd(II) atom is situated on an inversion centre and is coordinated by two N atoms from two L ligands and by four water O atoms in a distorted octa-hedral geometry. In the L ligand, the benzene ring resides on an inversion centre and the tetra-zole rings are twisted from its plane by 22.3 (1)°. An extensive hydrogen-bonding network formed by classical O-H⋯N and O-H⋯O inter-actions consolidates the crystal packing, linking the poymeric chains into a three-dimensional structure.

| S-EPMC3647818 | biostudies-literature

catena-Poly[[[aqua-(5-nitro-benzene-1,2,3-tricarboxyl-ato-κO)copper(II)]-di-μ-aqua-[diaqua-sodium]-di-μ-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-literature

catena-Poly[(di-aqua-cadmium)-μ-iminodi-acetato-κ(4) O,N,O':O''].

Project description:In the title compound, [Cd(C4H5NO4)(H2O)2] n , the Cd(II) atom exhibits a distorted octa-hedral coordination geometry, defined by one N atom and three O atoms from two iminodi-acetate (IDA) ligands and two water molecules. The tridentate IDA ligand additionally bridges via one of its carboxylate O atoms to another Cd(II) atom, thus forming a zigzag chain along [001]. A three-dimensional network is completed by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds.

| S-EPMC3772440 | biostudies-literature

catena-Poly[[[tetra-aqua-copper(II)]-μ-4,4'-bipyridyl-κ(2)N:N'] tetra-fluorido-succinate tetra-hydrate].

Project description:In the title compound, {[Cu(C(10)H(8)N(2))(H(2)O)(4)](C(4)F(4)O(4))·4H(2)O}(n), the Cu(II) atom adopts an elongated octa-hedral geometry because of the Jahn-Teller effect. Both cation and anion have crystallographic twofold rotation symmetry with the twofold axes passing through the Cu and N atoms and through the midpoint of the central C-C bond. The 4,4'-bipyridyl ligand links the Cu(II) atoms into a linear chain along the b axis. O-H⋯O hydrogen-bonding inter-actions between the cationic chains and the tetra-fluorido-succinate anions and the free water mol-ecules generate a three-dimensional supra-molecular network.

| S-EPMC3344339 | 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