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

ABSTRACT: 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.

SUBMITTER: Wei P

PROVIDER: S-EPMC2979929 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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

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

Tetra-?-oxido-tetra-kis{dioxido[3-(2-pyrid-yl)-1H-pyrazole]molybdenum(VI)}.

Project description:In the title compound, [Mo(4)O(12)(C(8)H(7)N(3))(4)], the Mo(VI) ion has a distorted octa-hedral coordination completed by two terminal O atoms, two ?-oxide atoms and two N atoms from one 3-(2-pyrid-yl)-1H-pyrazole ligand. It is noteworthy that in the tetranuclear unit ( symmetry), any three Mo(VI) atoms define a plane, and the fourth lies 1.8?(1)?Å out of that plane. The degree of linearity of the oxide bridges between two Mo atoms is 175.38?(13)°. Moreover, the N-H group forms an intra-molecular hydrogen bond (four per mol-ecule).

| S-EPMC2970160 | biostudies-literature

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

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

Tris(ethyl-enediammonium) bis-[(2-amino-ethyl)ammonium] bis-[bis-(?(5)-hydrogen phosphato)penta-?(2)-oxido-deca-oxido-penta-molybdenum(VI)] deca-hydrate.

Project description:The title compound, (C(2)H(10)N(2))(3)(C(2)H(9)N(2))(2)[Mo(5)(HPO(4))(2)O(15)]·10H(2)O, was prepared under hydro-thermal conditions at pH 5.0. The structure contains mono- and diprotonated ethyl-enediamine cations, [Mo(5)O(15)(HPO(4))(2)](4-) anions and uncoord-in-ated water mol-ecules. The [Mo(5)O(15)(HPO(4))(2)](4-) hetero-poly-oxometallate anion is made up of five MoO(6) octa-hedra sharing an edge and forming a ring, which is closed by common corners of the terminal MoO(6) octa-hedron. The ring is topped on both sides by two slightly distorted PO(4) tetra-hedra, sharing three corners with three MoO(6) octa-hedra. The terminal oxygen atoms of the PO(4) units are protonated. Together with the anions, the water mol-ecules and the ethyl-enediammonium cations are involved in N-H?O and O-H?O hydrogen bonding, forming a three-dimensional supra-molecular network.

| S-EPMC2979102 | biostudies-literature

Bis[tris-(ethyl-enediamine-?N,N')cobalt(III)] octa-kis-?-(3)-oxido-hexa-deca-?(2)-oxido-tetra-deca-oxido-?(12)-tetra-oxo-silicato-octa-molybdenum(VI)hexa-vanadium(IV,V) hexa-hydrate.

Project description:The title compound, [Co(C(2)H(8)N(2))(3)](2)[SiMo(8)V(4)O(40)(VO)(2)]·6H(2)O, was prepared under hydro-thermal conditions. The asymmetric unit consists of a transition metal complex [Co(en)(3)](3+) cation (en is ethyl-enediamine), one half of an [SiMo(8)V(4)O(40)(VO)(2)](6-) heteropolyanion, two solvent water mol-ecules in general positions and two half-mol-ecules of water located on a mirror plane. In the complex cation, the Co(3+) ion is in a distorted octa-hedral coordination environment formed by six N atoms of the three chelating en ligands. One of the en ligands exhibits disorder of its aliphatic chain over two sets of sites of equal occupancy. The [SiMo(8)V(4)O(40)(VO)(2)](6-) heteropolyanion is a four-electron reduced bivanadyl-capped ?-Keggin-type molybdenum-vanadium-oxide cluster. In the crystal, it is located on a mirror plane, which results in disorder of the central tetra-hedral SiO(4) group: the O atoms of this group occupy two sets of sites related by a mirror plane. Furthermore, all of the eight ?(2)-oxide groups are also disordered over two sets of sites with equal occupancy. There are extensive inter-molecular N-H?O hydrogen bonds between the complex cations and inorganic polyoxidoanions, leading to a three-dimensional supra-molecular network.

| S-EPMC3238691 | biostudies-literature

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