THE CRYSTAL AND MOLECULAR-STRUCTURE OF LOROTRIPHENYL(ISOQUINOLINIUM-1-CARBOXYLATO)TIN(IV)

The synthesis and crystal structure of the 1:1 complex formed between triphenyltin chloride and isoquinoline-1-carboxylic acid ([Ph(3)SnCl:C 10H7NO2]) is described. The tin(TV) atom is found to be five coordinat e, being bound to three phenyl groups, the chlorine atom, and an oxyge n from isoquinoline-1-carboxylic acid. The geometry around the tin ato m is that of a trigonal bipyramid, with the three phenyl groups occupy ing the equatorial positions, and the apical sites taken by the chlori ne atom and a carboxyl oxygen from the isoquinoline-1-carboxylic acid. The crystals are triclinic, space group P ($) over bar 1, with a = 17 .932(12) Angstrom, b = 17.935(15) Angstrom, c = 18.686(12) Angstrom, a lpha = 63.16(5)degrees, beta = 81.70(6)degrees, gamma = 68.45(6)degree s, V = 3986(6)(10) A(3), Z = 8, and D-calc = 1.486 Mg m(-1). The final residual is R(f) = 0.050, on 8375 reflections with I-net > 2.5 alpha( I-net). Two of the cell dimensions are equivalent and there are four m olecular units in the unit cell, so precautions are described for ensu ring that correct space-group determination had been made and that som e concealed symmetry in the final structure had not been overlooked.