Structure of caesium 3,3'-commo-bis(8,9,12-tribromooctahydro-1,2-dicarba-3-cobalta-closo-dodecaborate)(1-)

Tetrazole Ring Substitution at Carbon and Boron Sites of the Cobalt Bis(dicarbollide) Ion Available via Dipolar Cycloadditions

“…In the crystal structure of the C-brominated derivative 5 – , the cage interacts with the cationic part in proximity to it through five different types of multiple Cs···H–B contacts observed between the cationic and anionic parts of salts within the crystal lattice (Figures and S5). This is in line with the first structure of the unsubstituted parent cobalt bis­(dicarbollide) ion yet contrasts with the remaining Cs + salts, which are halogenated at boron atoms . In the latter case, the contacts of the Cs + cation with halogen atoms were observed instead.…”

Substitution reactions at boron atoms in metallacarboranes

“…, the yield was 80%) was prepared by the reaction of [Bu 4 N] [1] with an excess of 4-chloromethyl-1-fluorobicyclo[2.2.2]octane-1,4-diazonium bis(tetrafluoroborate) in acetone at 50 8C. 62 The structures of the compounds Cs[2c], 63 66 and Cs[6b] 67 were established by X-ray diffraction analysis. In the diand hexahalogen-substituted derivatives, the dicarbollyl ligands adopt a transoid conformation.…”

Water soluble organometallic small molecules as promising antibacterial agents: synthesis, physical–chemical properties and biological evaluation to tackle bacterial infections

“…A survey in the CSD (version 5.41, update August) reveals that only two crystal structures containing the 8,8′-diiodo derivative of metallabis(dicarbollide) anion have been reported: an iron complex anion [ 4 ] − with a bis(ethylenedithio)tetrathiafulvalene cation (refcode GANQIY) 39 and a cobalt complex anion [ 3 ] − with a Cs + (refcode DEXPIF). 42 Compound Cs[ 4 ] is actually [Cs(MeCN)][ 4 ] and crystallizes in the monoclinic C 2/ c space group. The presence of an acetonitrile molecule in the structure of the Fe complex results in the compounds Cs[ 4 ] and Cs[ 3 ] being not isostructural.…”

“…The transoid rotamer is fixed in both di-iodinated [ 3 ] − and [ 4 ] − small molecules because of two factors: (i) the repulsion of the three lone pairs of electrons of the iodine atom of the B(8)–I bond in each ligand of the complexes and (ii) the formation of two C c –H⋯I–B(8) intramolecular bonds between the C c –H vertex from one ligand and the I–B(8) vertex from the other one. The crystal structures of Cs[ 3 ] and [ 4 ] − (codes refcodes DEXPIF 42 and GANQIY 27 a ), which present two-fold symmetry anions with the two iodine atoms in the trans position, support the most stable rotamer, i.e. transoid , in both di-iodinated metallabis(dicarbollides).…”