85798-61-4

Basic information

• Product Name: MoFe₃S₄Cl₂(S(C₆H₄CF₃))(C₁₂H₁₂O₂)(P(C₂H₅)3)^(2-)
• CAS NO: 85798-61-4
• Molecular Weight: 946.206
• Mol File: 85798-61-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: MoFe₃S₄Cl₂(S(C₆H₄CF₃))(C₁₂H₁₂O₂)(P(C₂H₅)3)^(2-)(CAS DataBase Reference)
• NIST Chemistry Reference: MoFe₃S₄Cl₂(S(C₆H₄CF₃))(C₁₂H₁₂O₂)(P(C₂H₅)3)^(2-)(85798-61-4)
• EPA Substance Registry System: MoFe₃S₄Cl₂(S(C₆H₄CF₃))(C₁₂H₁₂O₂)(P(C₂H₅)3)^(2-)(85798-61-4)

Safety Data

• Hazardous Substances Data: 85798-61-4(Hazardous Substances Data)

Upstream product

• 84888-80-2 (C₂H₅)4N⁽¹⁺⁾*CF₃C₆H₄S^(1-)=(C₂H₅)4NSC₆H₄CF₃ 
• 85749-38-8 MoFe₃S₄Cl₃(C₁₂H₁₂O₂)(P(C₂H₅)3)^(2-) 

Relevant articles and documents

MoFe3S4Cl3(3,6-(C3H5)2C6H2O2)(THF).

Reaction of the doubly-bridged double-cubane cluster left bracket Mo//F//o 6S//8(SEt)//6(al//2cat)//2 right bracket **4**- (al//2cat equals 3,6-dialycatecholate) with 6 equiv of acetyl chloride in (2m double prime afforded, after recrystallization from acetone/THF, the single-cubane compound (Et//4N)//2 left bracket MoFe//3S//4Cl//3(al//2cat)(THF) right bracket . 0. 5CH//3COCH//3. The acetone-free 21 crystallizes from n-butyronitrile/THF in monoclinic space group C2/c with a equals 23. 829 (5) A, b equals 11. 452 (3) A, c equals 16. 870 (3) A, beta equals 106. 15 (2) degree , and Z equals 4. With use of 2451 unique data (F//o **2 greater than 3 sigma (F//o **2) the structure was refined to R (R//w) equals 3. 88% (3. 94%). The cluster left bracket MoFe//3S//4Cl//3-(al//2cat)(THF) right bracket **2**-(1) has a cubane-type left bracket MoFe//3( mu //3-S)//4 right bracket **3** plus core with tetrahedral Fe atoms terminally coordinated by chloride and a Mo atom whose coordination external to the core is completed by a catecholate chelate ring and a THF molecule (Mo-O and a Mo atom whose coordination external to the core is completed by a catecholate chelate ring and a THF molecule (MO-0 equals 2. 352 (6) A). An imposed mirror plane bisects the core and the chelate ring, resulting in cluster C//s symmetry and two types of Fe sites (2m plus M prime ) In solution the cluster solvates left bracket MoFe//3S//4Cl//3(al//2cat)(solv) right bracket **2**-(solv equals MeCN (2), Me//2SO (3)) are formed.