C 33 H 24 BrMnO 3 P 2 ,monoclinic, P2 1 /n (no. 14),
Source of materialThe crystal used for this analysis was prepared similiar to reported synthesis [1,2] by adding a1 .1 molar excess of bis(diphenylphosphino)-1,2-benzene to at oluene solution containing pentacarbonylmanganese(I) bromide and refluxed for 24 h. Subsequently, the filtered product was recrystallized from dichloromethane at room temperature.
Experimental detailsAll non-hydrogen atoms were modeled anisotropically with DIRDIF94 [3] using absorption corrected data. The phenyl hydrogen atoms were added after the refinement of the nonhydrogen part at calculated distance with d(C-H) =0.95 Å.
DiscussionThe title complex belongs to the group of manganese and rhenium carbonyl halide complexes which have attracted interest due to their unusual electrochemical properties and spectroscopic characterisations [1,4,5]. fac-[Mn(CO) 3(dppbz)Br] (dppbz = C 30 H 24 P 2 )isofinterest for us due to the bio-activity shown by transition metal carbonyl halide complexes containing arsenic, phosphorus or sulfur ligands [6,7]. The structure of the title complex is represented in the ORTEP [8] plot (30 %thermal ellipsoids). The three carbonyl groups are coordinated to the manganese atom in a fac-conformation with the average bonding distance d(Mn-C) =1.807(4) Å,and the average bond angle ∠C-Mn-C= 90.0(2)°.The phosphino-ligand coordinates the manganese atom in the equatorial position with the normal average bond length d(Mn-P) =2.327(1) Å and the bond angle ∠P-Mn-P=81.82(3)°.The bromine atom Br1 coordinates to the manganese in the axial position with the bond length d(Mn-Br) =2.5228(6) Å.With the coordination angles (Br, C, P)-Mn-(Br, C, P), in the ranges 81.82(3)°-9 5.1(1)°and 173.7(1)°-1 77.7(1)°,t he manganese atom is in as lightly distorted octahedral environment. The molecule has an oncrystallographic mirror plane passing through Br1, carbonyl (C2, O2), between P1 and P2, and between the carbonyls, (C1, O1) and (C3, O3).