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C33H24BrMnO3P2, monoclinic, P21/n (no. 14), a = 17.156(1) Å, b = 11.2568(8) Å, c = 17.487(1) Å, * = 117.087(1)°, V = 3006.8 Å, Z = 4, Rgt(F) = 0.037, wRref(F ) = 0.036, T = 273 K. Source of material The crystal used for this analysis was prepared similiar to reported synthesis [1,2] by adding a 1.1 molar excess of bis(diphenylphosphino)-1,2-benzene to a toluene solution containing pentacarbonylmanganese(I) bromide and refluxed for 24 h. Subsequently, the filtered product was recrystallized from dichloromethane at room temperature. Experimental details All 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. Discussion The 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 = C30H24P2) is of interest 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)° 95.1(1)° and 173.7(1)° 177.7(1)°, the manganese atom is in a slightly distorted octahedral environment. The molecule has a noncrystallographic mirror plane passing through Br1, carbonyl (C2, O2), between P1 and P2, and between the carbonyls, (C1, O1) and (C3, O3). Z. Kristallogr. NCS 225 (2010) 687-688 / DOI 10.1524/ncrs.2010.0301 687 © by Oldenbourg Wissenschaftsverlag, München Crystal: yellow block, size 0.22 × 0.41 × 0.48 mm Wavelength: Mo K+ radiation (1.54178 Å) .: 6.58 cm−1 Diffractometer, scan mode: Bruker SMART CCD, #/% 2,max: 57.1° N(hkl)measured, N(hkl)unique: 18736, 6961 Criterion for Iobs, N(hkl)gt: Iobs > 2 )(Iobs), 4659 N(param)refined: 176 Programs: DIRDIF94 [3], ORTEP [8], SIR-92 [9] Table 1. Data collection and handling. H(1) 4e 0.3391 0.1176 1.0506 0.067 H(2) 4e 0.4647 0.1644 1.0245 0.081 H(3) 4e 0.4415 0.2464 0.8857 0.084 H(4) 4e 0.2923 0.2792 0.7714 0.067 H(5) 4e 0.2398 0.1489 1.1239 0.086 H(6) 4e 0.2900 −0.0031 1.2373 0.111 H(7) 4e 0.2583 −0.2131 1.2004 0.125 H(8) 4e 0.1757 −0.2724 1.0497 0.118 H(9) 4e 0.1263 −0.1219 0.9346 0.083 H(10) 4e 0.2441 0.3629 1.0077 0.081 H(11) 4e 0.2208 0.5252 1.0895 0.111 H(12) 4e 0.0964 0.5206 1.1211 0.117 H(13) 4e −0.0047 0.3526 1.0757 0.105 H(14) 4e 0.0152 0.1893 0.9919 0.076 H(15) 4e 0.0825 0.0433 0.6408 0.067 H(16) 4e 0.0890 0.0304 0.5029 0.083 H(17) 4e 0.1329 0.2021 0.4464 0.086 H(18) 4e 0.1688 0.3903 0.5254 0.080 H(19) 4e 0.1611 0.4071 0.6627 0.065 H(20) 4e −0.0382 0.3706 0.6728 0.066 H(21) 4e −0.0787 0.5799 0.6729 0.084 H(22) 4e 0.0295 0.7217 0.7702 0.094 H(23) 4e 0.1794 0.6576 0.8620 0.093 H(24) 4e 0.2213 0.4480 0.8619 0.074 Table 2. Atomic coordinates and displacement parameters (in Å). Atom Site x y z Uiso

Crystal structure of tricarbonylbis[1,2-(diphenylphosphino)benzene]-manganese(I) bromide, Mn(CO) 3 (C 30 H 24 P 2 )Br