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Hexaaqua-hexa-kis(?(2)-3,5-diamino-4H-1,2,4-triazole)trinickel(II) tris-(hexa-fluoridosilicate) icosa-hydrate.

ABSTRACT: The trinuclear cation of the title compound, [Ni(3)(C(2)H(5)N(5))(6)(H(2)O)(6)][SiF(6)](3)·20H(2)O, has the six 3,5-diamino-1,2,4-triazole ligands each bridging two metal atoms; the metal atom in the middle, which lies on a special position (of 32 site symmetry), is connected to six N atoms in an octa-hedral geometry. The other metal atom, which lies on a special position (of 3 site symmetry), is connected to three N atoms and three O atoms. One hexa-fluroridosilicate anion lies on a site of 3 symmetry and the other lies on a site of symmetry. The hexa-cation, dianions and uncoordinated water mol-ecules inter-act through hydrogen bonds to form a three-dimensional network. One uncoordinated water molecule is disordered, with site occupancy 0.3.

SUBMITTER: Wu LP

PROVIDER: S-EPMC2961398 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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Hexa-kis-(μ₂-4-amino-3,5-dimethyl-4H-1,2,4-triazole)hexa-aqua-tricobalt(II) naphthalene-1,5-disulfonate tetra-chloride.

Project description:In the centrosymmetric trinuclear cation of the title compound, [Co₃(C₄H(8)N₄)₆(H₂O)₆](C₁₀H₆O₆S₂)Cl₄, the three Co(II) atoms are bridged by six triazole mol-ecules via the N atoms in the 1,2-positions. The central Co(II) atom, lying on an inversion center, is coordinated by six triazole N atoms while the terminal Co(II) atoms are coordinated by three triazole N atoms and three water O atoms in a distorted octa-hedral geometry. The naphthalene-disulfonate anion is also centrosymmetric. The four chloride counter anions are half-occupied; the H atoms of the amino groups show an occupancy of 2/3. O-H⋯Cl, O-H⋯O and N-H⋯O hydrogen bonds link the complex cations and the chloride and naphthalene-1,5-disulfonate anions.

| S-EPMC3393145 | biostudies-literature

Tris(1,2-diamino-ethane)-nickel(II) hexa-fluoridosilicate.

Project description:The ionic title complex, [Ni(C(2)H(8)N(2))(3)](SiF(6)), is built up of [Ni(en)(3)](2+) complex cations (en = 1,2-diamino-ethane) and hexa-fluoridosilicate anions. Single crystals of the title complex were isolated from an aqueous-ethano-lic Ni(2+)-en-SiF(6) (2-) system. The Ni(II) and Si atoms are each located on a special position with site symmetry 3.2. The Ni(II) atom coordination sphere is octa-hedrally deformed, being coordinated by three chelating diamine ligands with an Ni-N distance of 2.1233?(18)?Å. The crystal packing of the respective ions corresponds to the structure type of the hexa-gonal form of BN. Beside ionic forces, the packing is governed by N-H?F hydrogen bonds, which lead to the formation of hydro-phobic channels running along the 6(3) screw axis. The structure was refined as an inversion twin [0.49?(3): 0.51?(3)].

| S-EPMC3009077 | biostudies-literature

Hexaaqua-zinc(II) dichloride bis-(hexa-methyl-enetetramine) tetra-hydrate.

Project description:The title compound, [Zn(H(2)O)(6)]Cl(2)·2C(6)H(12)N(4)·4H(2)O, has been prepared under mild hydro-thermal conditions. The Zn(II) atom, located on a centre of symmetry, is coordinated by six water mol-ecules in a distorted octa-hedral coordination geometry. The hexa-methyl-enetetra-mine mol-ecule is not coordinated to Zn(II) but links the Zn complexes via three O-H?N hydrogen bonds. The remaining N atom of the hexa-methyl-enetetra-mine mol-ecule is hydrogen-bonded to a solvent water mol-ecule. In the crystal structure, inter-molecular O-H?O, O-H?N and O-H?Cl hydrogen bonds link the components into a three-dimensional network.

| S-EPMC2960671 | biostudies-literature

Tetra-kis(2,4,6-triamino-1,3,5-triazin-1-ium) tris-(pyridine-2,6-dicarboxyl-ato)calcate(II) hexa-hydrate.

Project description:The title compound, (C(3)H(7)N(6))(4)[Ca(C(7)H(3)NO(4))(3)]·6H(2)O or (tataH)(4)[Ca(pydc)(3)]·6H(2)O (where tata is 2,4,6-triamino-1,3,5-triazine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was obtained by reaction of Ca(NO(3))(2)·4H(2)O with the proton-transfer compound (tataH)(2)(pydc) in aqueous solution. The [Ca(pydc)(3)](4-) anion has twofold crystallographic symmetry. It is a nine-coordinate Ca(II) complex with a distorted tricapped trigonal-prismatic coordination geometry. The structure also contains four tataH(+) cations and six uncoordinated water mol-ecules. There are extensive O-H⋯O, O-H⋯N, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds in the crystal structure.

| S-EPMC2961976 | biostudies-literature

Trisodium bis-{1-[iminio-(morpholino)meth-yl]guanidinium} bis-[hexa-hydrogen-hexa-molybdoaluminate(III)] chloride icosa-hydrate.

Project description:In the title compound, Na(3)(C(6)H(15)N(5)O)(2)[Al(OH)(6)Mo(6)O(18)](2)Cl·20H(2)O, the [Al(OH)(6)Mo(6)O(18)](3-) polyoxo-anion has a B-type Anderson structure exhibiting approximate D(3d) symmetry. There are two types of sodium cations: the Na(+) cations of type I have a distorted octa-hedral coordination geometry formed by six O atoms and are statistically distributed over two positions with equal occupancies, while the coordination polyhedra of the two Na(+) cations of type II share one Cl anion located on an inversion center. The latter fragment, containing a Cl anion and two sodium cations, links two polyoxoanions into centrosymmetric blocks. The diprotonated 1-[imino-(morpholino)meth-yl]guanidinium cations and uncordinated water mol-ecules contribute to extensive N-H⋯O and O-H⋯O hydrogen bonding, resulting in the formation a three-dimensional supra-molecular structure.

| S-EPMC2961980 | biostudies-literature

Hexaaqua-copper(II) dichloride bis-(hexa-methyl-enetetra-mine) tetra-hydrate.

Project description:The title compound, [Cu(H(2)O)(6)]Cl(2)·2C(6)H(12)N(4)·4H(2)O, was prepared under mild hydro-thermal conditions. The asymmetric unit consists of one half of the [Cu(H(2)O)(6)](2+) cation, a hexa-methyl-enetetra-mine mol-ecule, two solvent water mol-ecules and a chloride ion. The formula unit is generated by crystallographic inversion symmetry. The Cu atom lies on a crystallographic inversion centre. It is in a slightly distorted octa-hedral coordination environment. In the crystal structure, inter-molecular O-H⋯O, O-H⋯N and O-H⋯Cl hydrogen bonds link the components into a three-dimensional network.

| S-EPMC2961946 | biostudies-literature

Low-temperature redetermination of hexa-kis(μ-chloro-acetato-κO:O')-μ(3)-oxido-tris[aquachromium(III)] nitrate 3.5-hydrate.

Project description:A low-temperature redetermination of the trinuclear cluster compound described as [Cr(3)(C(2)H(2)ClO(2))(6)O(H(2)O)(3)]NO(3)·3H(2)O [Glowiak, Kubiak & Jezowska-Trzebiatowska (1977 ▶). Bull. Acad. Pol. Sci. Ser. Sci. Chim.25, 359-371] shows that the salt is a 3.5-hydrate, [Cr(3)(C(2)H(2)ClO(2))(6)O(H(2)O)(3)]NO(3)·3.5H(2)O. The trinuclear cluster cation is disordered in four of the six monochloro-acetate groups. One is disordered over two positions in respect of the chloro-methyl atoms (occupancy ratio 0.50:0.50); another is disordered over three positions in respect of the chloro-methyl atoms (occupancy ratio 0.50:0.37:0.13) whereas two are disordered over two positions in respect of the Cl atoms only (occupancy ratios 0.84:0.16 and 0.60:0.40). Of the four independent uncoordinated water mol-ecules, one has an occupancy factor of 0.5. The trinuclear cation has an oxido O atom that is connected to three water-coordinated Cr(III) atoms, the three metal atoms forming the points of an equilateral triangle. Six carboxyl-ate groups each chelate a Cr-O-Cr fragment. The cations, anions and uncoordinated water mol-ecules are linked by hydrogen bonds.

| S-EPMC2962004 | biostudies-literature

Tris(piperazine-1,4-diium) bis-[hexa-chloridoindate(III)] tetra-hydrate.

Project description:The asymmetric unit of the title compound, (C(4)H(12)N(2))(3)[InCl(6)](2)·4H(2)O, consists of one and half independent piperazinium cations, an hexa-chloridoindate anion and two mol-ecules of water. The In(III) ion is six-coordinated and forms a quasi-regular octa-hedral arrangement. In the crystal, alternating layers of cations and anions are arranged parallel to (10[Formula: see text]) and are linked with the water mol-ecules via intra- and inter-molecular N-H⋯O, O-H⋯Cl, C-H⋯O and N-H⋯Cl hydrogen bonds, forming a complex three-dimensional network. Additional stabilization within the layers is provided by weak inter-molecular C-H⋯Cl inter-actions.

| S-EPMC3099932 | 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

Crystal structure of tris-(ethyl-enedi-ammonium) hexasulfatopraseodymium(III) hexa-hydrate.

Project description:In the title salt, (C2H10N2)3[Pr2(SO4)6]·6H2O, the Pr(III) cation is surrounded ninefold by five sulfate groups (two monodentate and three chelating) and by one water mol-ecule [range of Pr-O bond lengths 2.383?(3) to 2.582?(3)?Å]. The [Pr(SO4)5(H2O)] groups are arranged in sheets parallel to (010). Two crystal water mol-ecules and two ethyl-enedi-ammonium cations (one with point group symmetry -1) connect the sheets via O-H?O and N-H?O hydrogen bonds from weak up to medium strength into a three-dimensional framework structure.

| S-EPMC4257211 | biostudies-literature

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