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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.

ABSTRACT: 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.

SUBMITTER: Toumi H

PROVIDER: S-EPMC3588796 | biostudies-other | 2012 Dec

REPOSITORIES: biostudies-other

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

Toumi Hamza H Amiri Nesrine N Belkhiria Mohamed Salah MS Daran Jean-Claude JC Nasri Habib H

Acta crystallographica. Section E, Structure reports online 20121130 Pt 12

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 ...[more]

PMID: 23468761

Similar Datasets

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

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

Project description: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.

| S-EPMC3246972 | 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

Di-chlorido-(5,10,15,20-tetra-phenyl-porphyrinato-?(4) N)anti-mony(V) hexa-chlorido-anti-monate(V).

Project description:The asymmetric unit of the title compound, [Sb(C44H28N4)Cl2][SbCl6], consists of one half of an anti-mony(V) tetra-phenyl-porphyrin complex cation and one half of an hexa-chlorido-anti-monate(V) anion. In the complex cation, the Sb(V) atom lies on an inversion center and is octa-hedrally coordinated by four N atoms from a macrocyclic tetra-phenyl-porphyrinate ligand and two chloride ions. The complex cation has approximately a planar core with a maximum deviation of 0.018?(5)?Å from the porphyrin mean plane. The average Sb-N distance is 2.062?(11)?Å, while the Sb-Cl distance is 2.355?(1)?Å. The Sb(V) atom of the anion is also located on an inversion center. The [SbCl6](-) octa-hedron exhibits rhombic distortion characterized by the Sb-Cl bond lengths [2.311?(3), 2.374?(2) and 2.393?(4)?Å]. In the crystal, the cations and anions are linked C-H? Cl hydrogen bonds, forming a layer parallel to (211).

| S-EPMC4120531 | biostudies-literature

Tris{aqua-bis[3-(2-pyrid-yl)-1H-pyrazole]copper(II)} di-?(9)-arsenato-hexa-triaconta-?(2)-oxido-octa-deca-oxidoocta-deca-molybdate(VI).

Project description:The title compound, [Cu(C(8)H(7)N(3))(2)(H(2)O)](3)[As(2)Mo(18)O(62)], consists of two subunits, viz. an ?-Dawson-type [As(2)Mo(18)O(62)](6-) anion and a complex [Cu(C(8)H(7)N(3))(2)(H(2)O)](2+) cation. The copper(II) ion (site symmetry .2) is penta-coordinated in a distorted square-pyramidal manner by four N atoms from two chelating 3-(2-pyrid-yl)pyrazole ligands in equatorial positions and one water mol-ecule in the apical position. In the heteropolyanion, two O atoms of the AsO(4) group (3. symmetry) are equally disordered about the threefold rotation axis. N-H?O and O-H?O hydrogen bonding between the neutral mol-ecules and the water mol-ecules leads to a consolidation of the structure.

| S-EPMC2979923 | biostudies-literature

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

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

Crystal structure of di-chlorido-(4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-deca-ne)iron(III) hexa-fluorido-phosphate.

Project description:The title compound, [FeCl2(C14H30N4)]PF6, contains Fe(3+) coordinated by the four nitro-gen atoms of an ethyl-ene cross-bridged cyclam macrocycle and two cis chloride ligands in a distorted octa-hedral environment. In contrast to other similar compounds this is a monomer. Inter-molecular C-H⋯Cl inter-actions exist in the structure between the complex ions. Comparison with the mononuclear Fe(2+) complex of the same ligand shows that the smaller Fe(3+) ion is more fully engulfed by the cavity of the bicyclic ligand. Comparison with the μ-oxido dinuclear complex of an unsubstituted ligand of the same size demonstrates that the methyl groups of 4,11-dimethyl-1,4,8,11-tetra-aza-bicyclo-[6.6.2]hexa-decane prevent dimerization upon oxidation.

| S-EPMC4555389 | biostudies-literature

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