Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis{tris-[3-(2-pyrid-yl)pyrazole]manganese(II)} dodeca-molybdosilicate hexa-hydrate.

ABSTRACT: The title compound, [Mn(C(8)H(7)N(3))(3)](2)[SiMo(12)O(40)]·6H(2)O, consists of an [SiMo(12)O(40)](4-) heteropolyanion, lying on a centre of inversion, and a complex [Mn(C(8)H(7)N(3))(3)](4+) cation. The Mn(II) atom of the cation is hexa-coordinated in a distorted octa-hedral geometry by six N atoms from three chelating 3-(2-pyrid-yl)pyrazole ligands. In the heteropolyanion, the four O atoms of the tetra-hedral SiO(4) group each half-occupy eight sites due to Si lying on the centre of inversion. N-H?O and O-H?O hydrogen bonding mediated by the water mol-ecules leads to a consolidation of the structure.

SUBMITTER: Niu BH

PROVIDER: S-EPMC2979799 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Bis{tris-[3-(2-pyrid-yl)pyrazole]manganese(II)} dodeca-molybdosilicate hexa-hydrate.

Niu Bao-Hua BH Li Tao T Xi Yan Y Wu Su-Xia SX

Acta crystallographica. Section E, Structure reports online 20100127 Pt 2

The title compound, [Mn(C(8)H(7)N(3))(3)](2)[SiMo(12)O(40)]·6H(2)O, consists of an [SiMo(12)O(40)](4-) heteropolyanion, lying on a centre of inversion, and a complex [Mn(C(8)H(7)N(3))(3)](4+) cation. The Mn(II) atom of the cation is hexa-coordinated in a distorted octa-hedral geometry by six N atoms from three chelating 3-(2-pyrid-yl)pyrazole ligands. In the heteropolyanion, the four O atoms of the tetra-hedral SiO(4) group each half-occupy eight sites due to Si lying on the centre of inversion. ...[more]

PMID: 21579665

Similar Datasets

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]cadmium(II)} dodeca-molybdo(V,VI)phosphate hexa-hydrate.

Project description:The hydro-thermally prepared title compound, [Cd(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, is isotypic with its Mn(II) analogue [Hao et al. (2010 ?). Acta Cryst. E66, m231-m232]. The Cd(II) cation is in a distorted octa-hedral environment, coordinated by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. In the reduced heteropolyanion, two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonds contribute to the crystal packing. Compared with the Mn(II) analogue, the Cd-N bond lengths are longer at 2.316?(7)-2.334?(6)?Å, versus 2.224?(6)-2.283?(5)?Å for Mn-N, whereas all other bond lengths and angles and the hydrogen-bonding motifs are very similar in the two structures.

| S-EPMC2983543 | biostudies-literature

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]iron(II)} dodeca-molybdo(V,VI)phosphate hexa-hydrate.

Project description:Crystals of the title compound, [Fe(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, prepared under hydro-thermal conditions, are isotypic with the Mn(2+) and Cd(2+) analogues. The Fe(2+) cation is in a distorted octa-hedral coordination by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. The heteropoly-anion [PMo(12)O(40)](4-) is a one-electron reduced species in which two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonds make a contribution to the crystal packing. The Fe-N bond lengths [2.085?(19)-2.15?(2)?Å] are somewhat shorter than the Mn-N and Cd-N bond lengths [2.224?(6)-2.283?(5) and 2.316?(7)-2.334?(6)?Å, respectively]. All other bond lengths and angles and the hydrogen-bonding motifs are very similar in the isotypic structures.

| S-EPMC2983704 | biostudies-literature

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]nickel(II)} dodeca-molybdo(V,VI)phosphate hexa-hydrate.

Project description:The hydro-thermally prepared title compound, [Ni(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, is a member of the isotypic series [(M(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O where M is Mn, Cd, and Fe. The Ni(2+) cation is in a distorted octa-hedral environment, coordinated by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. In the one-electron reduced heteropolyanion, two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonds contribute to the crystal packing. Compared with the isotypic structures, the main difference is related with the M-N bond lengths, whereas all other bond lengths, angles and the hydrogen-bonding motifs are very similar.

| S-EPMC2983742 | biostudies-literature

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]manganese(II)} dodeca-molybdo(V,VI)phosphate hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Mn(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, consists of a complex [Mn(C(8)H(7)N(3))(3)](2+) cation, half of a mixed-valent Mo(V,VI) ?-Keggin-type [PMo(12)O(40)](4-) heteropolyanion, and three uncoordinated water mol-ecules. The Mn(2+) cation is surrounded by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands in a distorted octa-hedral coordination. In the heteropolyanion, two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonding between the cations, anions and the uncoordinated water mol-ecules leads to a consolidation of the structure.

| S-EPMC2979847 | biostudies-other

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]zinc(II)} dodeca-molybdosilicate hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Zn(C(8)H(7)N(3))(3)](2)[SiMo(12)O(40)]·6H(2)O, consists of a complex [Zn(C(8)H(7)N(3))(3)](2+) cation, half of a Keggin-type [SiMo(12)O(40)](4-) heteropolyanion and three uncoordinated water mol-ecules. The Zn(2+) cation is surrounded in a distorted octa-hedral coordination by six N atoms from three chelating 3-(2-pyrid-yl)pyrazole ligands. In the heteropolyanion, two O atoms of the central SiO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O hydrogen bonding between the cations, anions and the uncoordinated water mol-ecules leads to a consolidation of the structure.

| S-EPMC2979865 | biostudies-other

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]nickel(II)} dodeca-molybdosilicate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Ni(C(8)H(7)N(3))(3)](2)[SiMo(12)O(40)]·4H(2)O, consists of a complex [Ni(C(8)H(7)N(3))(3)](2+) cation, half of a Keggin-type heteropolyanion [SiMo(12)O(40)](4-) and two uncoordinated water mol-ecules. The Ni(2+) cation is surrounded in a slightly distorted octa-hedral coordination by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. In the heteropolyanion, two O atoms of the central SiO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonding between the cations, anions and the uncoordinated water mol-ecules leads to a consolidation of the structure.

| S-EPMC2979803 | biostudies-other

Tris[hexa-amminecobalt(III)] bis-[tri-oxalato-cobaltate(II)] chloride dodeca-hydrate.

Project description:The title compound, [Co(III)(NH?)?]?[Co(II)(C?O?)?]?Cl·12H?O, was synthesized under hydro-thermal conditions. The asymmetric unit comprises two [Co(NH?)?]³? cations, one located on a threefold axis and the other on a site of symmetry -3, a [Co(C?O?)?]?? anion, located on a threefold axis, one sixth of a chloride anion [disordered over two sites, one threefold (site occupancy = 0.5) and the other -3 (site occupancy (0.25)] and two water molecules. Both Co(III) centers are six-coordinated by NH? mol-ecules, forming [Co(NH?)?]³? octa-hedra, with Co-N distances in the range 1.958?(2)-1.977?(3)?Å. The title structure gives the first example of the [Co(C?O?)?]?? anion, with the distorted octa-hedral environment of Co(II) center formed by six O atoms from three oxalate residues. The Co-O bond lengths are 2.0817?(18) to 2.0979?(18)?Å. Multiple N-H?O, N-H?Cl and O-H?O hydrogen bonds link the cations, anions and water mol-ecules into a three-dimensional network.

| S-EPMC3393183 | biostudies-literature

Tris{4-[(2H-tetra-zol-5-yl)meth-yl]morpholinium} dodeca-tungstophosphate hexa-hydrate.

Project description:The title heteropolyoxidotungstate-based inorganic-organic hybrid material, (C(6)H(12)N(5)O)(3)[W(12)(PO(4))O(36)]·6H(2)O, consists of one α-Keggin-type [W(12)(PO(4))O(36)](3-) polyoxidometalate anion (POM), three crystallographically independent 4-[(2H-tetra-zol-5-yl)meth-yl]morpholinium cations and six water mol-ecules of crystallization. The morpholine ring of the cation adopts a chair conformation. The anion shows characteristic features with respect to bond lengths and angles. An extensive network of N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen-bonding inter-actions between the organic cations, inorganic anion and the crystal water mol-ecules lead to a three-dimensional structure. Moreover, six uncoordinated water mol-ecules increase the number of hydrogen bonds in the network and lead to the formation of (H(2)O)(∞) clusters.

| S-EPMC3052096 | biostudies-literature

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]iron(II)} tetra-deca-molybdo(V,VI)silicate.

Project description:The asymmetric unit of the title compound, [Fe(C(8)H(7)N(3))(3)](2)[SiMo(14)O(44)], consists of a complex [Fe(C(8)H(7)N(3))(3)](2+) cation and half of a derivative of an α-Keggin-type anion, [SiMo(14)O(44)](4-). In the mixed-valent Mo(V/VI) anion, the α-Keggin type core is capped on two oppositely disposed tetra-gonal faces by additional (MoO(2)) units. The [SiMo(14)O(44)](4-) anion shows disorder. Two O atoms of the central SiO(4) group ( symmetry) are equally disordered about an inversion centre. Moreover, two of the outer bridging O atoms and the O atoms of the capping (MoO(2)) unit are likewise disordered. The Fe(2+) cation is surrounded in a slightly distorted octa-hedral coordination by six N atoms from three 3-(2-pyrid-yl)-1H-pyrazole ligands. N-H⋯O hydrogen bonding between the cations and anions leads to a consolidation of the structure.

| S-EPMC2979929 | biostudies-literature

Tris{aqua-bis[3-(2-pyrid-yl)-1H-pyrazole]copper(II)} di-?(9)-arsenato-hexa-triaconta-?(2)-oxido-octa-deca-oxidoocta-deca-molybdate(VI).

Project description:The title compound, [Cu(C(8)H(7)N(3))(2)(H(2)O)](3)[As(2)Mo(18)O(62)], consists of two subunits, viz. an ?-Dawson-type [As(2)Mo(18)O(62)](6-) anion and a complex [Cu(C(8)H(7)N(3))(2)(H(2)O)](2+) cation. The copper(II) ion (site symmetry .2) is penta-coordinated in a distorted square-pyramidal manner by four N atoms from two chelating 3-(2-pyrid-yl)pyrazole ligands in equatorial positions and one water mol-ecule in the apical position. In the heteropolyanion, two O atoms of the AsO(4) group (3. symmetry) are equally disordered about the threefold rotation axis. N-H?O and O-H?O hydrogen bonding between the neutral mol-ecules and the water mol-ecules leads to a consolidation of the structure.

| S-EPMC2979923 | 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