122566-82-9

Basic information

• Product Name: {HFe₄(CO)12Au₂(PCH₃(C₆H₅)2)(P(CH₃)2(C₆H₅))B}
• CAS NO: 122566-82-9
• Molecular Weight: 1303.63
• Mol File: 122566-82-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: {HFe₄(CO)12Au₂(PCH₃(C₆H₅)2)(P(CH₃)2(C₆H₅))B}(CAS DataBase Reference)
• NIST Chemistry Reference: {HFe₄(CO)12Au₂(PCH₃(C₆H₅)2)(P(CH₃)2(C₆H₅))B}(122566-82-9)
• EPA Substance Registry System: {HFe₄(CO)12Au₂(PCH₃(C₆H₅)2)(P(CH₃)2(C₆H₅))B}(122566-82-9)

Safety Data

• Hazardous Substances Data: 122566-82-9(Hazardous Substances Data)

Upstream product

• 60969-19-9 thallium(I) hexafluorophosphate 
• 38686-38-3 diphenyl(methyl)phosphanegold(I) chloride 
• 28978-09-8 (dimethylphenylphosphine)gold(I) chloride 

Relevant articles and documents

Structural aspects and solution dynamics of the auraferraboranes [Fe4(CO)12Au2L2BH]: The crystal structures of [Fe4(CO)12Au2{P(p-MeC6H 4)3}2BH]·CH2Cl2 and [HFe4(CO)12Au2{PEt3}2B]

Six new auraferraboranes of the general formula [Fe4(CO)12Au2LL′BH] (L = L′ = P(c-C6H11)3, P(p-MeC6H4)3, PMePh2, PMe2Ph, PMe3; L = PMePh2, L′ = PMe2Ph) have been prepared. Two structural types are represented, one in which the endo-hydrogen atom bridges an Fe-B edge (structure I) and one in which it bridges an Fe-Fe edge (structure II). The change in hydrogen atom location is accompanied by a rearrangement of the gold(I) phosphine moieties and a reorientation of one iron tricarbonyl unit, while essentially retaining a constant Fe4B framework. The crystal structures of two compounds, [Fe4-(CO)12Au2{P(p-C6H 4)3)2BH]·CH2Cl2 (1) and [HFe4(CO)12Au2{PEt3}2B] (2), are reported, the former being representative of structure I and the latter of structure II. 1: monoclinic, P21/n; a = 20.891 (6), b = 13.367 (4), c = 23.441 (7) A?; β= 110.82 (3)°; V = 6118 (4) A?3; Z = 4; R(F) = 6.39%. 2: monoclinic, I2/a; a = 17.783 (5), b = 11.277 (3), c = 18.084 (7) A?; β = 106.26 (3)°; V = 3481.3 (17) A?3; Z = 4; R(F) = 4.75%. The structure of 1 is similar to that of the related cluster [Fe4(CO)12Au2{PPh3}2BH] (3). In solution, a lig-and-dependent equilibrium exists between structures I and II for the clusters [Fe4(CO)12Au2LL′BH]. The factors that control the dominance of structure I or II for a particular phosphine ligand have been investigated, and the interplay of steric and electronic effects has been assessed. Electronic factors appear to drive the gold(I) phosphine groups to interact with Fe-B rather than Fe-Fe edges of the cluster, while steric factors dictate the actual Fe4Au2B core geometry.