Summary
[MoCu3S3Br(SCH2CH2S)(PPh3)3]·MeCN, MW=1382.78, space group Pl, has the triclinic cell parametersa=12.272(11),b=13.172(7),c=20.363(3)Å, α=106.26(3)o, β=95.64(5)o, γ=65.79(6)o; Z=2, V=2881.4Å3. Dc=1.55 g cm−3. MoKα radiation. λ=0.71073Å, μ=22.8 cm−1. F(000)=1348. R=0.69 for 4964 observed unique reflections [I>3σ(I)]. There are some distortions in the cubane-like MoCu3S3Br core, with three form Mo−Cu bonds. The Mo atom is bound by chelating SCH2CH2S and three μ3-S atoms.
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References
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The starting material was prepared by reaction of (Me4N)2[Mo2O2S(S2)4]·MeCN with CuBr and PPh3. The crystal data for [MoCu3S3Br(O)(PPh3)3] are; triclienic system with space group Pl,a=11.803Å,b=13.050Å,c=20.4058Å, α=74.839o, β=84.415o, λ=63.852o, Z=2, R=0.064 (will be published);
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Xintao, W., Yifan, Z., Shaowu, D. et al. Synthesis and crystal structure of a cubane-like molybdenum copper sulphur bromide cluster [MoCu3S3Br(SCH2CH2S)(PPh3)3]·MeCN. Transition Met Chem 14, 157–158 (1989). https://doi.org/10.1007/BF01040614
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DOI: https://doi.org/10.1007/BF01040614