Crystal structure of tribenzylbis(tetrahydrofuran-κO)lutetium(III)

In the title compound, [Lu(C7H7)3(C4H8O)2] (1), the Lu ion is coordinated by three benzyl and two tetrahydrofuran ligands. Two of the benzyl groups are bonded in a classical η1-fashion through the methylene via the ipso-carbon atom of the benzyl ligand in addition to bonding through the methylene C atom, resulting in a modified trigonal–bipyramidal coordination geometry about the Lu center.

Synthesis and crystal structures of two new tin bis(carboranylamidinate) complexes

Reaction of 2 equiv. of the lithium carboranylamidinate Li[o-(C2H10B10)C(NCy)(NHCy)] with SnCl2in THF afforded the stannylene compound bis(N,N′-dicyclohexylamidinatocarboranate)tin(II), SnII[o-(C2H10B10)C(NCy)(NHCy)]2(1). A similar reaction of SnCl4with 2 equiv. of Li[o-(C2H10B10)C(NiPr)(NHiPr)] unexpectedly afforded the known solvated pentachloridostannate(IV) salt [Li(THF)4][SnCl5(THF)] as the main reaction product. Small amounts of the new chlorido-tin(IV) bis(carboranylamidinate) bis(N,N′-diisopropylamidinatocarboranate)chloridotin(IV), SnIVCl[o-(C2H10B10)C(NiPr)(NHiPr)][o-(C2H10B10)C(NiPr)2] (2), were isolated as a by-product. Single-crystal X-ray structure analysis revealed aκC,κN-chelating coordination of the carboranylamidinate ligands in both1and2. The Sn atom in1adopts a pseudo-trigonal–bipyramidal coordination under participation of a stereoactive lone pair. In2, a trigonal–bipyramidal coordination of Sn is completed by a chlorido ligand.

Crystal structure of pentasodium hydrogen dicitrate from synchrotron X-ray powder diffraction data and DFT comparison

The crystal structure of pentasodium hydrogen dicitrate, Na5H(C6H5O7)2, has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Each of the two independent citrate anions is joined into a dimer by very strong centrosymmetric O—H...O hydrogen bonds, with O...O distances of 2.419 and 2.409 Å. Four octahedrally coordinated Na+ions share edges to form open layers parallel to theabplane. A fifth Na+ion in trigonal–bipyramidal coordination shares faces with NaO6octahedra on both sides of these layers.

(2-Hydroxybenzoato-κO)triphenyl(triphenylphosphine oxide-κO)tin(IV)

The title compound, [Sn{C6H4(OH)COO}(C6H5)3{OP(C6H5)3}], is comprised of discrete molecules with the SnIVatom in a trigonal–bipyramidal coordination environment. The carboxylate O atom of the salicylate anion and the O atom of the triphenylphosphine oxide moiety are in the axial positions and the threeipsoC atoms occupy the equatorial positions. An intramolecular O—H...O hydrogen bond is present in the anion between the hydroxy group and the carbonyl atom O of the carboxylate group.