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Dilithium disodium nickel(II) cyclo-hexa-phosphate dodeca-hydrate, Li(2)Na(2)NiP(6)O(18)·12H(2)O.

ABSTRACT: The crystal structure of Li(2)Na(2)NiP(6)O(18)·12H(2)O is characterized by the presence of six-membered P(6)O(18) (6-) phosphate ring anions (inter-nal symmetry -1) having a chair conformation and three different cations, viz. Li(+), Na(+) and Ni(2+), to counterbalance the anionic charge. All atoms are in general positions except for nickel, which lies on a special position with site symmetry 2. Lithium has a tetra-hedral environment (LiO(4)), and sodium and nickel have octa-hedral environments [NaO(6) and Ni(H(2)O)(6), respectively]. The P(6)O(18) rings are linked via corner sharing by NaO(6) octa-hedra and LiO(4) tetra-hedra to form a three-dimensional framework presenting tunnels running along [010] in which the six-coordinated Ni(2+) cations are located. The structure is stabilized by a network of O-H⋯O hydrogen bonds.

SUBMITTER: Abid S

PROVIDER: S-EPMC3414093 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Poly[bis-(piperazine-1,4-diium) [(μ4-cyclo-hexa-phosphato)dilithium] tetra-hydrate].

Project description:In the title compound, {(C4H12N2)2[Li2(P6O18)]·4H2O} n , the phosphate ring anion, located around an inversion center, adopts a chair conformation. Adjacent P6O18 rings are linked via corner-sharing by LiO4 tetra-hedra, generating anionic porous {[Li2(P6O18)](4-)} n layers parallel to (101). The piperazine-1,4-diium cations occupy the pores and develop hydrogen bonds with the inorganic framework. An extensive network of N-H⋯O and O-H⋯O hydrogen-bonding inter-actions link the components into a three-dimensional network and additional stabilization is provided by weak C-H⋯O hydrogen bonds.

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Calcium disodium hexa-thio-diphosphate(IV) octa-hydrate.

Project description:Single crystals of the title compound, CaNa(2)(P(2)S(6))·8H(2)O, were obtained by adding calcium hydroxide to an aqueous solution of Na(4)(P(2)S(6))·6H(2)O. The structure is isotypic with that of its strontium analogue and consists of one Ca(2+) cation, two Na(+) cations, one-half of a centrosymmetric (P(2)S(6))(4-) anion with staggered confirmation and four water mol-ecules in the asymmetric unit. The crystal structure can be described as being built up from layers of cations and anions extending parallel to (101). Within a layer, each CaO(8) polyhedron is connected via edge-sharing to two NaO(4)S(2) octa-hedra and to one NaO(2)S(4) octa-edron. The NaO(4)S(2) octa-hedra are, in turn, linked with two (P(2)S(6))(4-) anions through common corners. Various O-H?S hydrogen-bonding inter-actions lead to cohesion of adjacent layers. The Ca(2+) and one Na(+) cation are situated on a twofold rotation axis and the second Na(+) cation is situated on an inversion centre.

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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.

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Project description:The crystal structure of SrNa(2)(P(2)S(6))·8H(2)O is isotypic with that of its calcium analogue. The asymmetric unit consists of one Sr(2+) cation (2 symmetry), two Na(+) cations (2 and symmetry, respectively), one-half of a centrosymmetric (P(2)S(6))(4-) anion with a staggered confirmation and four water mol-ecules. The crystal structure is built up from layers of cations and anions extending parallel to (101). Each SrO(8) polyhedron is connected via edge-sharing to two NaO(4)S(2) octa-hedra and to one NaO(2)S(4) octa-hedron. The NaO(4)S(2) octa-edra are, in turn, connected with two (P(2)S(6))(4-) anions through common corners. Adjacent layers are held together by several O-H?S hydrogen-bonding inter-actions.

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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(morpholinium) hexa-?(3)-hydroxido-hexa-?(2)-oxido-dodeca-oxidohexa-molybdenum(VI)chromate(III) tetra-hydrate.

Project description:In the title organic-inorganic hybrid compound, (C(4)H(10)NO)(3)[H(6)CrMo(6)O(24)]·4H(2)O, the Anderson-type [H(6)CrMo(6)O(24)](3-) polyoxoanion is centrosymmetric, with the Cr(III) ion lying on an inversion center. One of the two crystallographiclly independent morpholinium cations is half-occupied. Inter-molecular N-H?O and O-H?O hydrogen bonds link the cations, polyoxoanions and uncoordinated water mol-ecules.

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10-Formyl-2,4,6,8,12-penta-nitro-2,4,6,8,10,12-hexa-azatetra-cyclo-[5.5.0.0.0]dodeca-ne.

Project description:The title compound, C(7)H(7)N(11)O(11) (PNMFIW), is a caged heterocycle substituted with five nitro and one formyl groups. It is related to the hexa-azaisowurtzitane family of high-density high-energy polycyclic cage compounds. Four nitro groups are appended to the four N atoms of the two five-membered rings, while a nitro group and a formyl are attached to the two N atoms of the six-membered ring.

| S-EPMC2972129 | biostudies-literature

4,10-Diformyl-2,6,8,12-tetra-nitro-2,4,6,8,10,12-hexa-azatetra-cyclo-[5.5.0.0.0]dodeca-ne.

Project description:The title compound TNDFIW, C(8)H(8)N(10)O(10), is a caged heterocycle substituted with four nitro and two formyl groups. It is related to the hexa-azaisowurtzitane family of high-density high-energy polycyclic cage compounds. Four nitro groups are appended to the four N atoms of the two five-membered rings, while the other two formyl groups are attached to the two N atoms of the six-membered ring, which adopts a boat conformation. The compound has a cage structure which is constructed from one six-membered and two five-membered rings which are closed by a C-C bond, thus creating two seven-membered rings. There are a number of close intermolecular contacts [O⋯O = 2.827 (5), 2.853 (4) and 2.891 (5) Å; O⋯N = 2.746 (2) and 2.895 (2) Å] The calculated density of TNDFIW is 1.891 Mg m(-3).

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

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