Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ACCESS DATA

Json Xml

Publications

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

Wu Li-Ping LP Zhao Shu-Ming SM Zhang Guo-Fang GF Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20080510 Pt 6

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 s ...[more]

PMID: 21202489

Similar Datasets

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

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