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Tris[(1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)rubidium] heptaantimonide-ammonia (1/4).

ABSTRACT: The crystal structure of the title compound, [Rb(C(12)H(24)O(6))](3)[Sb(7)]·4NH(3), fills the gap between the already known Zintl anion ammoniates {[Cs(18-crown-6)](3)Sb(7)}(2)·9NH(3) [Wiesler (2007 ▶). Dissertation, Universität Regensburg, Germany] and [K(18-crown-6)](3)Sb(7)·4NH(3) [Hanauer (2007 ▶). Dissertation, Universität Regensburg, Germany]. As in the two known compounds, the anti-mony cage anion in this crystal structure is coordinated by three alkali cations. The coordination spheres of each of the cations are saturated by 18-crown-6 mol-ecules. The ammonia mol-ecules of crystallization are situated between the crown ethers. The neutral, mol-ecular [Rb(18-crown-6)](3)Sb(7) units are inter-connected by multiple dipole-dipole interactions between ammonia and 18-crown-6.

SUBMITTER: Mutzbauer F

PROVIDER: S-EPMC3246972 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Di-?-azido-bis-(?-1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)bis-(5,10,15,20-tetra-phenyl-porphyrinato)dicadmium-disodium.

Project description:The asymmetric unit of the title compound, [Cd2Na2(N3)2(C44H28N4)2(C12H24O6)2], consists of one half of the dimeric complex; the tetra-nuclear mol-ecule lies about an inversion centre. The Cd(II) atom is coordinated by the four pyrrole N atoms of the 5,10,15,20-tetra-phenyl-porphyrinate ligand and one N atom of the axial azide ligand in a square-pyramidal geometry. The azide group is also linked to the Na(I) atom, which is surrounded by one 18-crown-6 molecule and additionally bonded to a second 18-crown-6 molecule trans to the azide group. The porphyrin core exhibits a major doming distortion (?40%) and the crystal structure is stabilized by weak C-H?? inter-actions. The mol-ecular structure features weak intra-molecular hydrogen bonds: two O-H?O inter-actions within the 18-crown-6 mol-ecule and one C-H(18-crown-6)?N(azido) contact.

| S-EPMC3588796 | biostudies-other

catena-Poly[[bis-(μ(2)-1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)dipotassium]-μ(2)-iodido-(iodidocadmium)-di-μ(2)-iodido-(iodidocadmium)-μ(2)-iodido].

Project description:The reaction of CdCl(2), 18-crown-6 and KI in water yields the title coordination polymer, [{K(C(12)H(24)O(6))}(2)Cd(2)I(6)](n). The potassium ion lies approximately in the plane of the crown ether, coordinated by all six crown ether O atoms and also by an iodide anion bound to a cadmium atom. A C atom of the crown ether is disordered over two positions with site occupancies of 0.77 (2) and 0.23 (2). Two K(18-crown-6)(+) units are linked by inversion symmetry, forming a [bis-(μ(2)-18-crown-6)dipottasium] system with approximately square-planar K(2)O(2) units. Inversion symmetry also generates the Cd(2)I(6) fragment and the polymeric system is extended along the c axis by the formation of K-I-Cd bridges.

| S-EPMC3569213 | biostudies-literature

(1,4,7,10,13,16-Hexaoxacyclo-octa-deca-ne)dimethyl-indium(III) trifluoro-methane-sulfonate.

Project description:In the title compound, [In(CH(3))(2)(C(12)H(24)O(6))](CF(3)O(3)S), two of the In-O distances within the cation are significantly shorter than the other four. The In(III) atom is in a distorted hexa-gonal-bipyramidal coordination geometry in which the C-In-C angle is 175.44 (12)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3051716 | 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

fac-(2-Amido-ethyl-?C,O)aqua-tri-chlorido-tin(IV) 1,4,7,10,13,16-hexa-oxacyclo-octa-decane (2/1).

Project description:The asymmetric unit of the title compound, [Sn(C(3)H(6)NO)Cl(3)(H(2)O)](2)·C(12)H(24)O(6), comprises a six-coordinate tin complex and a 18-crown-6 mol-ecule, the latter disposed about a centre of inversion. The tin atom is coordinated by three Cl atoms, that define a facial arrangement, a chelating C-,O- ligand, and a water mol-ecule. The resulting CCl(3)O(2) donor set defines a distorted octa-hedral geometry. The tin-bound aqua ligand forms O-H?O hydrogen bonds to the centrosymmetric 18-crown-6 mol-ecule, resulting in a tri-mol-ecular aggregate. These assemble into a supra-molecular chain along the a axis being connected by N-H?O hydrogen bonds.

| S-EPMC2983741 | biostudies-literature

1,16-Diiodo-hexa-deca-ne.

Project description:The mol-ecular structure of the title compound, C(16)H(32)I(2), is centrosymmetric and the mol-ecular skeleton, including both terminal I atoms, has an all-trans conformation. The mol-ecules form layers of thickness a. These features are similar to those of the smectic C phase of liquid crystals.

| S-EPMC2960330 | biostudies-literature

2,9-Diiodo-hexa-cyclo-[9.3.1.1(2,6).1(4,8).1(9,13).0(1,8)]octa-deca-ne.

Project description:The title compound, C(18)H(24)I(2), has an adamantanoid structure with tetra-hedral cages having four C atoms lying on the same plane [(I-)C-C-C-C(-I) torsion angle = 0°]. The plane is extended by the two I atoms, each having a deviation of 1.0?(6)?Å [C-C-C-I torsion angle = 178.9?(4)°]. The central C-C bond connecting the two quaternary carbons seems enlarged [1.593?(9)?Å] in comparison to the corresponding bond in [2]diadamantane [1.554?(3)?Å]. This is attributed to the presence of the electronegative I atoms, which affect inductively the C atoms of the four-C-atom plane, making the central C-C bond weaker.

| S-EPMC3414276 | 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

Diammonium tetra-kis-(iso-thio-cyanato)-zincate-1,4,10,13,16-hexa-oxa-cyclo-octa-deca-ne-water (1/2/1).

Project description:The title compound, (NH4)2[Zn(NCS)4]·2C12H24O6·H2O, the result of the reaction of ammonium thio-cyanate, 18-crown-6 and zinc(II) chloride in aqueous solution, exhibits an unusual supra-molecular structure. The Zn atom, two of the thio-cyanate chains and a water mol-ecule, disordered over two positions, lie on a mirror plane. The macrocycle adopts a conformation with approximate D 3d symmetry. The ammonium mol-ecules are contained within the bowl of the macrocycle via extensive N-H⋯O hydrogen bonds and the complex mol-ecules are linked via N-H⋯S hydrogen bonds, forming chains along the c-axis direction. The macrocycle is disordered over two positions [refined occupancy ratio = 0.666 (8):0.334 (8)]. The S atoms of two iso-thio-cyanate ligands are disordered within and about the mirror plane.

| S-EPMC3793699 | biostudies-literature

Poly[[hexa-aqua-tris-[μ(2)-2,5-dihy-droxy-1,4-benzoquinona-to(2-)]diholmium(III)] octa-deca-hydrate].

Project description:In the polymeric title compound, {[Ho(2)(C(6)H(2)O(4))(3)(H(2)O)(6)]·18H(2)O}(n), the Ho(III) ion is nine-coordinated by six O atoms derived from three bidentate 2,5-dihy-droxy-1,4-benzoquinonate (DHBQ(2-)) ligands and three O atoms from three water mol-ecules. The Ho(III) ions are connected via three ligands, resulting in the formation of a two-dimensional honeycomb layer parallel to the ab plane. The layer is racemic in which Δ- and Λ-coordination geometries around Ho(III) ions are alternately arranged. The asymmetric unit comprises a third of a Ho(III) ion, located on a threefold axis, one-half of a DHBQ(2-) ion, located on a centre of inversion, one coordinated water mol-ecule and three uncoordinated water mol-ecules.

| S-EPMC2983139 | biostudies-literature

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