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Investigation of single MoFe 3 S 4 cubane cluster: I. First successful synthesis by spontaneous self‐assembly reaction and structure of (Et 4 N) [MoFe 3 S 4 (Et 2 NCSS) 5 ]CH 3 CN
Author(s) -
QiuTian Liu,
LiangRen Huang,
BeiSheng Kang,
ChunWan Liu,
LingLing Wang,
JiaXi Lu
Publication year - 1986
Publication title -
acta chimica sinica english edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 0256-7660
DOI - 10.1002/cjoc.19860040202
Subject(s) - chemistry , cubane , crystallography , monoclinic crystal system , cluster (spacecraft) , denticity , ligand (biochemistry) , bond length , crystal structure , biochemistry , receptor , computer science , programming language
A single MoFe 3 S 4 cubane‐like cluster compound has been synthesized through spontaneous self‐assembly of simple inorganic salts with organosulfur ligand for the first time. (Et 4 N)‐(MoFe 3 S 4 (Et 2 NCSS) 5 ] CH 3 CN(1) is quite stable in air. The crystal of 1 is monoclinic with space group P 2/ c , a =22.897 (3)Å, b = 12.399 (2)Å, c =20.928 (4)Å, β=97.15 (1)°, and Z =4. A full matrix least‐squares refinement with 6725 unique reflections for all nonhydrogen atoms gives R =0.068. The anion of 1 is the first isolated single MoFe 3 S 4 cubane cluster with core oxidation state [MoFe 3 S 4 ] 4+ . The distance between the two 6‐coordinate metal atoms (Mo, Fe) is 2.624 Å, which is the shortest M‐M' bond observed for Mo‐Fe‐S clusters so far and the only one shorter than similar distances in FeMo‐cofactor. The bond orders of this anion were calculated by EHMO method and the results coincide with the general rule. The structural feature and the unusual stability of 1 can be attributed to the bidentate chelating effect of Et 2 NCSS‐, which leads to high coordination of metal atoms and the various ligated types.