Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Tris[tri-phenyl-anti-mony(V)]hexa(μ-oxido)-tellurium(VI): a mol-ecular complex with six Te-O-Sb bridges.

ABSTRACT: In the structure of the title compound [systematic name hexa-μ-oxido-1:2κ⁴ O:O;1:3κ⁴ O:O;1:4κ⁴ O:O-nona-phenyl-2κ³ C,3κ³ C,4κ³ C-tri-anti-mony(V)tel-lur-ium(VI)], [Sb₃Te(C₆H₅)₉O₆], the hexa-oxidotellurate(VI) ion is coordinated to three Sb^V ions via pairs of cis-positioned O atoms to form a discrete mol-ecular unit. The Te^VI and Sb^V central ions exhibit distorted octa-hedral [TeO₆] and distorted trigonal-bipyramidal [SbC₃O₂] coordination geometries, respectively. The linking of these polyhedra, by sharing the dioxide edges, results in the Te-based octa-hedron having a mer-configuration. The packing of the mol-ecules is dominated by C-H⋯O hydrogen bonding and weak dispersion forces, with a minor contribution from C-H⋯π bonds and π-π stacking inter-actions. According to the Hirshfeld surface analysis, the contributions of the H⋯H, H⋯C/C⋯H and H⋯O/O⋯H contacts are 58.0, 32.6 and 7.8%, respectively. The title structure provides a model for the bonding of triorgano-anti-mony dications to octa-hedral oxoanions, and the observed doubly bridged motifs, Te(μ-O)₂Sb, may find application in the functionalization of polyoxometalate species.

SUBMITTER: Domasevitch KV

PROVIDER: S-EPMC8647739 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Crystal water as the mol-ecular glue for obtaining different co-crystal ratios: the case of gallic acid tris-caffeine hexa-hydrate.

Project description:The crystal structure of the hexa-hydrate co-crystal of gallic acid and caffeine, C7H6O5·3C8H10N4O2·6H2O or GAL3CAF·6H2O, is a remarkable example of the importance of hydrate water acting as structural glue to facilitate the crystallization of two components of different stoichiometries and thus to compensate an imbalance of hydrogen-bond donors and acceptors. The water mol-ecules provide the additional hydrogen bonds required to form a crystalline solid. Whereas the majority of hydrogen bonds forming the inter-molecular network between gallic acid and caffeine are formed by crystal water, only one direct classical hydrogen bond between two mol-ecules is formed between the carb-oxy-lic oxygen of gallic acid and the carbonyl oxygen of caffeine with d(D⋯A) = 2.672 (2) Å. All other hydrogen bonds either involve crystal water or utilize protonated carbon atoms as donors.

| S-EPMC5946989 | biostudies-literature

?(3)-Oxido-hexa-?(2)-pivalato-tris[(methanol-?O)cobalt(III)] chloride.

Project description:The crystal structure of the title compound, [Co(3)(C(5)H(9)O(2))(6)O(CH(4)O)(3)]Cl, consists of trinuclear Co(III) complex cations and chloride anions. The Co(III) cation has site symmetry m, and is coordinated by four oxygen atoms from four bridging pivalate groups, one central O anion and a methanol oxygen atom, forming a distorted octa-hedral geometry. The coordinated methanol mol-ecule is located on a crystallographic special position, the C and O atoms being located on the mirror plane. The central O anion lies in the crystallographic position, and acts as a ?(3)-O bridge, linking three equivalent Co(III) cations and generating the oxo-centered trinuclear Co(III) complex. The chloride anion, which acts as the counter-ion, is located on crystallographic position. O-H?Cl hydrogen bonding between the Cl anion and hydroxyl group of the coordinated methanol mol-ecule links the mol-ecules into a supra-molecular network.

| S-EPMC2971253 | biostudies-literature

Tris(2,2'-bipyridine)-cobalt(II) μ(6)-oxido-dodeca-μ(2)-oxido-hexa-oxidohexa-molydate(VI).

Project description:In the title compound, [Co(C(10)H(8)N(2))(3)][Mo(6)O(19)], the Co(2+) cation is surrounded in a distorted octa-hedral coordination by six N atoms from three 2,2'-bipyridine ligands. The distribution of Mo-O bond lengths in the Lindqvist isopolyanion is consistent with other structures containing the same unit. In the crystal, the cations and anions are linked by C-H⋯O inter-actions.

| S-EPMC3006945 | biostudies-literature

Tris(morpholinium) hexa-?(3)-hydroxido-hexa-?(2)-oxido-dodeca-oxidohexa-molybdenum(VI)chromate(III) tetra-hydrate.

Project description:In the title organic-inorganic hybrid compound, (C(4)H(10)NO)(3)[H(6)CrMo(6)O(24)]·4H(2)O, the Anderson-type [H(6)CrMo(6)O(24)](3-) polyoxoanion is centrosymmetric, with the Cr(III) ion lying on an inversion center. One of the two crystallographiclly independent morpholinium cations is half-occupied. Inter-molecular N-H?O and O-H?O hydrogen bonds link the cations, polyoxoanions and uncoordinated water mol-ecules.

| S-EPMC3120305 | 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 and mol-ecular structure of aflatrem.

Project description:The crystal structure of the title compound, C32H39NO4, confirms the absolute configuration of the seven chiral centres in the mol-ecule. The molecule has a 1,1-dimethylprop-2-enyl substituent on the indole nucleus and this nucleus shares one edge with the five-membered ring which is, in turn, connected to a sequence of three edge-shared fused rings. The skeleton is completed by the 7,7-trimethyl-6,8-dioxabi-cyclo-[3.2.1]oct-3-en-2-one group connected to the terminal cyclohexene ring. The two cyclohexane rings adopt chair and half-chair conformations, while in the dioxabi-cyclo-[3.2.1]oct-3-en-2-one unit, the six-membered ring has a half-chair conformation. The indole system of the mol-ecule exhibits a tilt of 2.02?(1)° between its two rings. In the crystal, O-H?O hydrogen bonds connect mol-ecules into chains along [010]. Weak N-H?? inter-actions connect these chains, forming sheets parallel to (10-1).

| S-EPMC4645010 | biostudies-literature

μ-Oxido-bis-{chlorido[tris-(2-pyridylmethyl)amine]manganese(III)} bis-(hexa-fluorido-phosphate).

Project description:In the title compound, [Mn(2)O(C(18)H(18)ClN(4))(2)](PF(6))(2), the Mn atom is chelated by a tetra-dentate ligand via four N atoms, and further bonded to one chloride ion and one bridging oxide, to give a centrosymmetric cation and distorted octa-hedral coordination geometry.

| S-EPMC2915134 | biostudies-literature

Calixarene-based mol-ecular capsule from olefin metathesis.

Project description:The reaction of tetra-kis-(all-yloxy)calix[4]arene with the first-generation Grubbs catalyst, followed by catalytic hydrogenation, gave the novel bis-calixarene 15,20,46,51,64,69,74,79-octa-oxatridecacyclo[32.28.8.8(3,28).1(13,53).1(22,44).0(9,14).0(21,26).0(38,70).0(40,45).0(52,57).0(59,63).0(7,80).0(32,73)]octa-conta-1(63),3,5,7(80),9(14),10,12,21,23,25,28(73),29,31,34,36,38(70),40,42,44,52,54,56,59,61-tetra-cosa-ene benzene monosolvate, C72H72O8·C6H6. The structure consists of two calix[4]arene units connected by four-carbon chains at each of the four O atoms on their narrow rims, to form a cage. Each of the calix[4]arene units has a flattened cone conformation in which two of the opposite aryl groups are closer together and nearly parallel [dihedral angle between planes = 7.35 (16)°], and the other two aryl groups are splayed outward [dihedral angle between planes = 72.20 (8)°]. While the cavity contains no solvent or other guest mol-ecule, there is benzene solvent mol-ecule in the lattice. Two of the alkyl linking arms were disordered over two conformations with occupancies of 0.582 (3)/0.418 (3) and 0.33 (4)/0.467 (4). They were constrained to have similar metrical and thermal parameters.

| S-EPMC3772447 | biostudies-literature

Fluorenonophane chloro-benzene solvate: mol-ecular and crystal structures.

Project description:The title compound, 19 H,79 H-3,5,9,11-tetra-oxa-1,7(2,7)-difluorena-4,10(1,3)-dibenzena-cyclo-dodeca-phane-19,79-dione (fluorenonophane), exists as a solvate with chloro-benzene, C42H28O6·C6H5Cl. The fluorenonophane contains two fluorenone fragments linked by two m-substituted benzene fragments. Some decrease in its macrocyclic cavity leads to a stacking inter-action between the tricyclic fluorenone fragments. In the crystal, the fluorenonophane and chloro-benzene mol-ecules are linked by weak C-H⋯π(ring) inter-actions and C-H⋯Cl hydrogen bonds. The Cl atom of chloro-benzene does not form a halogen bond. A Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyse the inter-molecular contacts found in the crystal structure.

| S-EPMC8647744 | biostudies-literature

Iclaprim mesylate displaying a hydrogen-bonded mol-ecular tape.

Project description:The title compound, 2,6-di-amino-5-[(2-cyclo-propyl-7,8-dimeth-oxy-2H-1-benzo-pyran-5-yl)meth-yl]pyrimidin-1-ium methane-sulfonate, C19H23N4O3 +·CH3O3S-, is a salt made up from a protonated iclaprim mol-ecule and a mesylate anion. The pyrimidine and chromene units of the iclaprim mol-ecule form an orthogonal arrangement [inter-planar angle of 89.67 (6)°], and the 3-nitro-gen position of the pyrimidine ring is protonated. Four distinct N-H⋯O inter-actions and an additional N-H⋯N hydrogen bond connect iclaprim and mesylate mol-ecules to one another, resulting in an infinite hydrogen-bonded mol-ecular tape structure. The central section of the tape is formed by a sequence of fused hydrogen-bonded rings involving four distinct ring types.

| S-EPMC9815135 | 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