Abstract
The solid state synthesis of Cs 4Nb 6F i 8.5I i 3.5I a 6 starting from Nb 6F 15 binary fluoride, as well as its crystal structure determined by X-ray single crystal diffraction, are presented in this work. This novel cluster compound is based on a Nb 6I i 3F i 6 L i 3I a 6 ( L=F, I) discrete unit and crystallizes in the monoclinic system (space group C2/ m; Z=4 ; a=10.4363(4) Å, b=18.1227(7) Å, c=19.5102(9) Å β=101.223(1)°, V=3619.5(3) Å 3, R 1=0.057; w R 2=0.159). This halide is the first octahedral niobium cluster compound containing unshared terminal I a ligands together with ordered μ 2-I i and μ 2-F i ligands on nine inner positions whilst the three last ones ( L i) are slightly affected by a I/F random occupancy. The structural findings are discussed and compared with those of Nb 6F 15, Nb 6I 11, CsNb 6I 11 and the fluorochlorides and fluorobromides recently reported.
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