An organomolybdenum complex

Abstract

r/-Allyl)bromodicarbonyl(N,N'-dicyclohexylethanediimine)molybdenum(II), [MoBr(CaHs)-(CO)2(C~4H24N2)], M r = 493.30, orthorhombic, Pnam, a = 12.541 (1), b= 8.318 (1), c= 19.503 (1)A, V= 2034.5A 3, Z=4, D x= 1.611Mgm -3, 2(CuK~t)= 1.5418 A, ~= 7.322mm -1, F(000)= 1000, T= Mo Br 293K, final R=0.088 for 1267 unique observed c(1) reflections. The Mo atom shows octagonal coordination c(2) C(3) with a mirror plane passing through it, the Br atom and c(10) the central C atom of the r/-allyl group. Bonds to C(ll) Mo are Mo--Br = 2.649 (2), Mo--N = 2.221 (8), c(12) C(13) Mo-C(allyl) = 2.179 (17), and Mo-C(carbonyl) = c(14) 1.965 (14) A. C(15) C(16) O(l) N(I) Experimental. Tabular crystal, 0.13 x 0.10 x 0.05 mm, non-standard setting of space group Pnma (No. 62) used, Enraf-Nonius CAD-4 diffractometer, Ni-filtered radiation, moving-crystal/moving-counter technique, 20< 140 °, lattice parameters from measurements on 45 reflections, no absorption corrections, h=-15 to 15, k=-10 to 10, l=0 to 23, reflection 402 as intensity standard, average count 5484.5 with a (calculated from distribution of measurements) = 103.9. 4215 reflections measured and merged using SHELX76 (Sheldrick, 1976), 1651 unique reflections, merging Rin t = 0.072, 384 excluded during refinement [F o < 3a(Fo)]. Mo and Br positions from Patterson function, other non-H atoms from Fourier syntheses, based on phases defined by Mo and Br; least-squares refinement, F magnitudes; isotropic and then anisotropic temperature factors gave R = 0.088, wR = 0.0676 including H atoms at calculated positions. Weights given by w = I/[a2(F) +

A Bis(diazadiene) Adduct of MoCl2: Mononuclear, Octahedral, Undistorted and Diamagnetic

“…The structural analysis confirms the identity of the molecule and establishes the cis stereochemistry (see Figure1). The geometry is essentially regular octahedral, the only slight deviations being attributable to the small bite of the chelating dad ligands [N(1)ϪMoϪN(2) ϭ 75.55 (8) [1] The observed structural parameters are more consistent with a bonding description where the arrangement B plays a significant role and are very similar to those of our recently reported dad adduct of [CpMoCl 2 ]. [3] Compounds such as the formally d 6 [Mo(CO) 4 (R 2 dad)] (R ϭ iPr or C 6 H 3 -iPr 2 -2,6), [6] …”

Structure of 2,4,6-trimethoxy-1,3,5-triazine

“…The N--C bond lengths in the triazine ring range from 1-311 to 1.344 A and the average endocyclic angles at the N and C atoms are 113.3 and 126.8 °, respectively. Such differentiation of bonds and angles in the triazine ring is characteristic of the s-triazine system and has been observed earlier (Graham, Akrigg & Sheldrick, 1977, 1978aReck & Jankowsky, 1981;Reck, Bannier, Just & Goldhahn, 1985).…”

Bromodicarbonyl(η3-1-phenylallyl)bis(pyrazole)molybdenum(II)

“…A review of similar complexes has been published by Davis & Kane-Maguire (1982). Structural work on related complexes has been reported by Graham, Akrigg & Sheldrick (1976, 1983 and by Graham & Fenn (1969, 1970.…”