Tris(acetonitrile-?N){2,6-bis-[(diphenyl-phosphan-yl)amino]-4-eth-oxy-1,3,5-triazine-?P,N,P'}iron(II) bis-(tetra-fluorido-borate) acetonitrile disolvate.

ABSTRACT: In the title compound, [Fe(CH(3)CN)(3)(C(29)H(27)N(5)OP(2))](BF(4))(2)·2CH(3)CN, the Fe(II) ion is octa-hedrally coordinated by a meridionally chelating tridentate pincer-type PNP ligand derived from 2,6-diamino-4-eth-oxy-1,3,5-triazine and by three acetonitrile mol-ecules. The four Fe-N bond lengths range from 1.9142?(12) to 1.9579?(11)?Å, while the Fe-P bonds are 2.2452?(4) and 2.2506?(4)?Å [P-Fe-P = 165.523?(14)°], consistent with Fe(II) in a low-spin state. Unlike related Fe PNP complexes based on 2,6-diamino-pyridine, the BF(4) anions are not hydrogen bonded to the two NH groups of the pincer ligand but show instead anion-? inter-actions with the triazine ring and acetonitrile mol-ecules in addition to ten C-H?F inter-actions. Most remarkable among these is an anion-?(triazine) inter-action with a short distance of 2.788?(2)?Å between one F and the centroid of the ?-acidic triazine ring. The corresponding shortest distance between this F atom and a triazine carbon atom is 2.750?(2)?Å. The two NH groups of the pincer ligand donate N-H?N hydrogen bonds to the triazine N atom of a neighbouring complex and to an uncoordinated acetonitrile mol-ecule. This last mol-ecule is in a side-on head-to-tail association with the second uncoordinated acetonitrile at C?N distances of 3.467?(2) and 3.569?(2)?Å. In contrast to several related compounds with diamino-pyridine- instead of diamino-triazine-based PNP ligands, the title crystal structure is remarkably well ordered. This suggests that the diamino-triazine moiety exerts notable crystal structure stabilizing effects.

SUBMITTER: Koley M 

PROVIDER: S-EPMC3238739 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature