Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Ehrhardt C

PROVIDER: S-EPMC3007201 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Ehrhardt Claus C Gjikaj Mimoza M

Acta crystallographica. Section E, Structure reports online 20100703 Pt 8

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 an ...[more]

PMID: 21588078

Similar Datasets

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.

| S-EPMC3007360 | biostudies-literature

Trilithium thio-arsenate octa-hydrate.

Project description:The title compound, Li3AsS4·8H2O, is built up from infinite cationic [Li3(H2O)8](3+) chains which extend along [001] and are cross-linked by isolated tetra-hedral AsS4 (3-) anions via O-H?S hydrogen bonds. Two Li and two As atoms lie on special positions with site symmetries -1 (1 × Li) and 2 (1 × Li and 2 × As). The [Li3(H2O)8](3+) chain contains four independent Li atoms of which two are in octa-hedral and two in tetra-hedral coordination by water O atoms. An outstanding feature of this chain is a linear group of three edge-sharing LiO6 octa-hedra to both ends of which two LiO4 tetra-hedra are attached by face-sharing. Such groups of composition Li5O16 are linked into branched chains by means of a further LiO4 tetra-hedron sharing vertices with four adjacent LiO6 octa-hedra. The Li-O bonds range from 1.876?(5) to 2.054?(6)?Å for the LiO4 tetra-hedra and from 2.026?(5) to 2.319?(5)?Å for the LiO6 octa-hedra. The two independent AsS4 (3-) anions have As-S bond lengths ranging from 2.1482?(6) to 2.1677?(6)?Å [<As-S> = 2.161?(10)?Å]. The eight independent water mol-ecules of the structure donate 16 relatively straight O-H?S hydrogen bonds to all S atoms of the AsS4 tetra-hedra [<O?S> = 3.295?(92)?Å]. Seven water mol-ecules are in distorted tetra-hedral coordination by two Li and two S; one water mol-ecule has a flat pyramidal coordination by one Li and two S. At variance with related compounds like Schlippe's salt, Na3SbS4·9H2O, there are neither alkali-sulfur bonds nor O-H?O hydrogen bonds in the structure.

| S-EPMC3647787 | biostudies-literature

Disodium calcium dinickel(II) bis-[diphosphate(V)] deca-hydrate.

Project description:In the title compound, Na(2)CaNi(2)(P(2)O(7))(2)(H(2)O)(10), there are two distinct P-atom sites, each tetra-hedrally coordinated by four O atoms. The resulting phosphate tetra-hedra link through a common O atom, forming a [P(2)O(7)](4-) diphosphate unit. The Ni-O coordination is square pyramidal with four O atoms from two diphosphate groups in equatorial positions and the vertex occupied by a water O atom. The (P(2)O(7))(H(2)O) units link the Ni atoms, forming a chain of pyramids and tetra-hedra. As a result of the d-glide and twofold-axis symmetry of space group Fdd2, the chains propagate along [101] and [10], and chains in adjacent layers are mutually orthogonal. The Ca cation, located on a rotation axis, and the Na cation are each octa-hedrally coordinated by four O atoms and two waters. The Ni-chain arrangement is stabilized by Ca and Na coordination and a network of O-H?O hydrogen bonds.

| S-EPMC3051721 | biostudies-literature

Disodium tricopper(II) tetra-kis[selenate(IV)] tetra-hydrate.

Project description:The title compound, Na(2)Cu(3)(SeO(3))(4)(H(2)O)(4), has been prepared under hydro-thermal conditions. The crystal structure contains a three-dimensional anionic framework made up from distorted [CuO(4)(H(2)O)(2)] octa-hedra ( symmetry), [CuO(4)(H(2)O)] square pyramids and trigonal-pyramidal SeO(3) units sharing common corners. The connectivity among these units leads to four- and eight-membered polyhedral rings, which by edge-sharing inter-connect into walls. A rhombus-like 16-membered polyhedral ring channel system with a longest length of approximately 14.0?Å and a shortest length of 5.3?Å is enclosed by such walls along the a axis. The water mol-ecules attached to the Cu atoms, as well as the electron lone pairs of the Se(IV) atoms, protrude into these channels. The seven-coordinated Na(+) counter-cations occupy the remaining free space of the 16-membered polyhedral ring channels. An intricate network of O-H?O hydrogen bonds further consolidates the three-dimensional structure.

| S-EPMC2959769 | biostudies-literature

Monopotassium monosodium hexa-hydrogen ?-hexa-molybdoplatinate(IV) undeca-hydrate.

Project description:The title compound, KNa[H(6)PtMo(6)O(24)]·11H(2)O, contains a discrete hexa-molybdoplatinate(IV) [H(6)PtMo(6)O(24)](2-) poly-anion (1 symmetry), which has the highest level of protonation. Five O atoms of the central PtO(6) octa-hedron (?(3)-atoms, Oc) and one O atom of an outer edge-sharing MoO(6) octa-hedron (O bridging ?(2)-atom, Ob) are protonated. The polyanions are connected by almost linear O-H?O hydrogen bonds between protonated and unprotonated Ob atoms. Further consolidation of the crystal structure is accomplished by extensive O-H?O hydrogen bonding involving the uncoordinated water mol-ecules. The two independent K(+) cations are equally disordered about a twofold rotation axis.

| S-EPMC2979713 | 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 tin(IV) chloride octa-hydrate.

Project description:The title compound, [SnCl4(H2O)2]·6H2O, was crystallized according to the solid-liquid phase diagram at lower temperatures. It is built-up of SnCl4(H2O)2 octa-hedral units (point group symmetry 2) and lattice water mol-ecules. An intricate three-dimensional network of O-H?O and O-H?Cl hydrogen bonds between the complex molecules and the lattice water molecules is formed in the crystal structure.

| S-EPMC4257401 | biostudies-literature

?-Hexa-thio-metadiphosphato-bis-[(1,4,7,10,13,16-hexa-oxa-cyclo-octa-decane-?(6) O)rubidium] aceto-nitrile disolvate.

Project description:The asymmetric unit of the title compound, [Rb2(P2S6)(C12H24O6)2]·2CH3CN, contains one half of an [Rb(18-crown-6)2]2[P2S6] unit and one aceto-nitrile solvent mol-ecule. The [Rb(18-crown-6)]2[P2S6] unit is completed by inversion symmetry. Its Rb(+) ion is situated near the centre of the macrocyclic cavity, but is displaced by 0.8972?(1)?Å from the O atoms of the crown in the direction of the [P2S6](2-) moiety. The overall coordination number of the cation is eight, defined by the six crown ether O atoms and by two terminal S atoms of the [P2S6](2-) anion. The hexa-thio-metadiphosphate anion is built up from two tetra-hedral PS4 units joined together by a common edge. The crystal structure is characterized by alternating layers of [Rb(18-crown-6)]2[P2S6] and aceto-nitrile solvent mol-ecules stacked along [010].

| S-EPMC4004430 | biostudies-literature

catena-Poly[[(6,7,9,10,17,18,20,21-octa-hydro-5,8,11,16,19,22-hexa-oxadibenzo[a,j]cyclo-octa-decene)barium]-di-μ-thio-cyanato-[thio-cyanato-diaurate(I)(Au-Au)]-μ-thio-cyanato].

Project description:In the title compound, [Au(2)Ba(NCS)(4)(C(20)H(24)O(6))](n), the dithio--cyanato-aurate(I) anion adopts a dimeric structure with an Au⋯Au distance of 3.1109 (10) Å; both Au(I) atoms are also bonded to two S atoms. The Ba(II) ion adopts an irregular BaN(3)O(6) geometry, arising from the crown ether and three adjacent thio-cyanate N atoms; the extended structure of the complex can be described as a one-dimensional coordination polymer generated by the Ba⋯N inter-actions (two on the endo side and one on the exo side of the crown ether) running parallel to the b axis, with an anti-parallel arrangement of ribbons in the unit cell.

| S-EPMC2971920 | biostudies-literature

Redetermination of hepta-potassium nona-hydrogen bis-[?-hexa-molybdoplatinate(IV)] undeca-hydrate.

Project description:Previously reported at a temperature of 298?(2)?K [Lee & Joo (2007 ?). Acta Cryst. E63, i11-i13], the title compound, K(7)[H(9)?-Pt(2)Mo(12)O(48)]·11H(2)O or K(7)[H(4.5)?-PtMo(6)O(24)](2)·11H(2)O, was redetermined at 146?(2)?K in order to determine whether the H atom in the hydrogen bond that crosses the center of symmetry was located at the center of symmetry or disordered around it as assumed in the previous study. During the present low-temperature study it was found on the center of symmetry. One water molecule shows half-occupancy.

| S-EPMC2984051 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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