The crystal and molecular structure of Methyltriethylammonium µ-8,8′-oxa-3,3′-commo-bis(undecahydro-1,2-dicarba-3-cobalta-closo-ododecaborate) (1-), [N(C₂H₅)₃CH₃]⁺ [O(C₂B₉H₁₀)₂Co]^-

Abstract

The structure of the title compound, C, ^jgBjgCoNO was solved using X-ray diffraction techniques. The crystals are orthorhombic, space group Pna2i with a = 12.508(7), b = 15.935(2), c = 12.618(2) A, Ζ = 4. The structure has been determined by the heavy-atom method and refined by the full-matrix least-squares method up to R = 0.066 for 1621 counter reflections. The ionic structure consists of the [N(C 2 H5)3CH 3 ] + cation and the [O(C 2 B 9 H 10 ) 2 Co]-anion. The anion is built from two dicarbollide ligands sharing the cobalt atom as a common apex. Moreover, these two ligands are linked by a monoatomic oxygen bridge. The pentagonal planes bound to the cobalt atom are not parallel in the anion, but inclined to each other by an angle of 28.3°, which is caused by the oxygen bridge.

Substitution reactions at boron atoms in metallacarboranes

“…Heating of cobaltacarborane Cs [1] with formaldehyde in acetic anhydride in the presence of sulfuric acid affords the [8,8 H 42,102 [in the absence of formaldehyde, 8,8 H -(m-EtO)-3,3 H -Co(1,2-C 2 B 9 H 10 ) 2 was obtained 42 ]. Derivative 56 was also prepared by refluxing [8-Me-8 H -HO-3,3 H -Co(1,2-C 2 B 9 H 10 ) 2 ] À with iodine in ethanol.…”

“…The reaction of nickelacarborane 99 with CO is accompanied by the replacement of one Ph 3 P ligand with the carbonyl group to form complex 101. Refluxing of the latter in benzene under CO pressure results not only in migration of the triphenylphosphine ligand to the carborane moiety but also in dimerisation to give closo-[3-(m-CO)-8-Ph 3 P-3,1,2-NiC 2 B 9 H 10 ] 2 (102) containing the Ni7Ni bond. The structure of complex 102 was established by X-ray diffraction analysis.…”

Magnetoelectric Coupling Springing Up in Molecular Ferroelectric: [N(C2H5)3CH3][FeCl4]

“…The space group was determined as polar, noncentrosymmetric P 6 3 mc of a 6 mm point group ( C 6 v 4 , Laue symmetry: 6/ mmm ), with symmetry elements analogous to those of ferroelectric [N­(C 2 H 5 ) 3 CH 3 ]­[FeBr 4 ] reported by Cai et al The clear lack of the spatial-inversion symmetry present herein is generally a first sharp-cut premise useful in predicting the physical features of ferroelectrics. , The starting model for the simulated-annealing optimization was built up using an ethylmethylammonium fragment without any substitution of hydrogen atoms on carbon atoms and a Fe–Cl fragment, modeled as a rigid body with 11 degrees of freedom. The organic part of the building block was taken out from the C 11 H 38 B 18 CoNO structure reported by Petrina et al, while the inorganic fragment originated from the FeCl 2 structure published by Vettier et al…”

“…25,26 The starting model for the simulated-annealing optimization was built up using an ethylmethylammonium fragment without any substitution of hydrogen atoms on carbon atoms and a Fe-Cl fragment, modeled as a rigid body with 11 degrees of freedom. The organic part of the building block was taken out from the C 11 H 38 B 18 CoNO structure reported by Petrina et al 27 while the inorganic fragment originated from the FeCl 2 structure published by Vettier et al 28 .…”

High-Affinity Binding of Metallacarborane Cobalt Bis(dicarbollide) Anions to Cyclodextrins and Application to Membrane Translocation

“…The other compounds in the series ( 2 – 9 ) were selected to cover several structural features such as isomeric nature ( 1 , 2 ), cage boron, and carbon substitutions by polar and nonpolar groups ( 3 to 6 versus 9 ) or by a diatomic and monoatomic bridge that partly and completely hinders movement of the ligand planes around the metal atom. The compounds were synthesized by procedures known for [(1,7-C 2 B 9 H 11 ) 2 -2,2′-Co]­Cs ( 2 ), [(1,2-Me 2 -1,2-C 2 B 9 H 9 ) 2 -3,3′-Co]­Cs ( 3 ), [(8,8′-Cl 2 -(1,2-C 2 B 9 H 10 ) 2 -3,3′-Co]Cs ( 4 ), [(8-l-1,2-C 2 B 9 H 10 )­(1′,2′-C 2 B 9 H 11 )-3,3′-Co]Cs ( 5 ), [(8,8′-l 2 -(1,2-C 2 B 9 H 10 ) 2 -3,3′-Co]­Cs ( 6 ), , [(8,8′-μ-O-(1,2-C 2 B 9 H 10 ) 2 -3,3′-Co]­Cs ( 7 ), , [(8,8′-μ-(O-CH 2 )-(1,2-C 2 B 9 H 10 ) 2 -3,3′-Co]Cs ( 8 ), and [(1-HOC 2 H 4 -1,2-C 2 B 9 H 10 )­(1′,2′-C 2 B 9 H 11 )-3,3′-Co]Cs ( 9 ) Their identity was examined by 11 B and 1 H NMR spectroscopies and mass spectrometry (MS); the values of the NMR shifts and MS base mass peaks were found to correspond to the reported data. The purity assay of all compounds was performed by high-performance liquid chromatography with a diode-array detector, according to the previously published IP-RP method. , …”