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Structure and Crystallographic Disorder of [Mo 2 (O 2 CCF 3 ) 2 I 4 ](HPPh 3 ) 2
Author(s) -
Chiang ShihFu,
Wu YingYann,
Chen JhyDer,
Keng TaiChiun,
Wang JuChun
Publication year - 1998
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.199800114
Subject(s) - chemistry , crystallography , molecule , crystal structure , molybdenum , x ray crystallography , oxygen atom , group (periodic table) , bar (unit) , inorganic chemistry , physics , diffraction , optics , meteorology , organic chemistry
The reaction of Mo 2 (O 3 CCF 3 ) 4 with (CH 3 ) 3 SiI and PPh 3 gave the title complex [Mo 3 (O 2 CCF 3 ) 2 I 4 ]‐(HPPh 3 ) 2 which was characterized by X‐ray crystallography. Crystal data for [Mo 2 (O 2 CCF 3 ) 2 I 4 ](HPPh 3 ) 2 : space group \documentclass{article}\pagestyle{empty}\begin{document}$ {\rm P}\bar 1 $\end{document} , a = 10.953(4) Å, b = 12.784(3) Å, c = 19.829(4) Å, α = 100.68(2)°, β = 91.16(2)°, γ = 112.98(2)°, V = 2498.6(10) Å 3 , Z = 2, with final residuals R = 0.0887 and Rw = 0.0965. There are two independent molecules in each asymmetric unit. The molybdenum, oxygen, and fluoride atoms in one of the two independent molecules are disordered, such that the primary set is 53% occupied, and the secondary set 47%.