TY - JOUR
T1 - Crystal and molecular structure of (η5-1,3,5-trimethyl-6- phenylcyclohexadienyl)(η5-cyclopentadienyl)iron, a mixed full sandwich iron(II) complex
AU - Zaworotko, Michael J.
AU - Sturge, K. Craig
AU - White, Peter S.
PY - 1990/6/19
Y1 - 1990/6/19
N2 - (η5-1,3,5-trimethyl-6-phenylcyclohexadienyl)(η5-cyclopentadienyl)Fe (9) was synthesized via reaction of phenyllithium with [(cyclopentadienyl)(mesitylene)Fe][PF6]. 9 crystallized from hexanes in the monoclinic space group P21/n with a 8.5703(5), b 8.5283(9), c 21.8436(23) Å, β 93.868(6)° and Dcalc 1.327 g cm-3 for Z = 4. Least-squares refinement gave a conventional R value of 0.035 for 2046 independent observed reflections. The structure reveals that the phenyl moiety added in the expected exo fashion and that the Fe-ring distances are statistically identical, averaging 2.059(3) and 2.06(3) Å for the cyclopentadienyl and cyclohexadienyl moieties, respectively. A comparison with other mixed iron(II) full-sandwich complexes is made in an attempt to determine relative π-back bonding abilities of the four isoelectronic π-ligands: arene, cyclopentadienyl, pentadienyl, and cyclohexadienyl.
AB - (η5-1,3,5-trimethyl-6-phenylcyclohexadienyl)(η5-cyclopentadienyl)Fe (9) was synthesized via reaction of phenyllithium with [(cyclopentadienyl)(mesitylene)Fe][PF6]. 9 crystallized from hexanes in the monoclinic space group P21/n with a 8.5703(5), b 8.5283(9), c 21.8436(23) Å, β 93.868(6)° and Dcalc 1.327 g cm-3 for Z = 4. Least-squares refinement gave a conventional R value of 0.035 for 2046 independent observed reflections. The structure reveals that the phenyl moiety added in the expected exo fashion and that the Fe-ring distances are statistically identical, averaging 2.059(3) and 2.06(3) Å for the cyclopentadienyl and cyclohexadienyl moieties, respectively. A comparison with other mixed iron(II) full-sandwich complexes is made in an attempt to determine relative π-back bonding abilities of the four isoelectronic π-ligands: arene, cyclopentadienyl, pentadienyl, and cyclohexadienyl.
UR - http://www.scopus.com/inward/record.url?scp=0005328565&partnerID=8YFLogxK
U2 - 10.1016/0022-328X(90)85428-2
DO - 10.1016/0022-328X(90)85428-2
M3 - Article
AN - SCOPUS:0005328565
SN - 0022-328X
VL - 389
SP - 333
EP - 340
JO - Journal of Organometallic Chemistry
JF - Journal of Organometallic Chemistry
IS - 3
ER -