The crystal and molecular structure of 1,1'-tetramethylethyleneferrocene

The structure of α-keto-1,5-tetramethyleneferrocene

“…The average iron-carbon bond distance is 2.053_+ 0.011 A and the average carbon-carbon bond distance in the cyclopentadienyl rings is 1.433 +0.015 A. These values are in good agreement with those found in ferrocene and some of its derivatives (Laing & Trueblood, 1965). The average carbon-hydrogen bond distance calculated was 0.97 A with an average mean deviation of 0-12 A.…”

“…The 'sandwich' system itself is also of interest because of the possibility of different configurations (eclipsed and staggered) of one cyclopentadienyl relative to another. In the present case, the unsubstituted cyclopentadienyl ring could possibly be fully staggered relative to the substituted ring, a configuration found in ferrocene (Dunitz, Orgel & Rich, 1956) but not in certain of its derivatives studied recently: Biferrocenyl (Macdonald & Trotter, 1964), Diethyldiferrocenyl (Struchkov & Kaluski, 1965), 1,1'-Tetramethylethyleneferrocene (Laing & Trueblood, 1965), ~-Keto-l,l'-trimethyleneferrocene (Jones, Marsh & Richards, 1965), Dibenzoylferrocene (configuration not substantially discussed; Struchkov & Khotsyanova, 1957). We have studied the structure of (I) in order to reveal more fully the exact configuration present in this compound.…”

Synthesis and Structural Characterisation of a Novel Chiral ansa-Cobaltocenium Hexafluorophosphate

“…This can be demonstrated by comparing an unbridged and a bridged metallocene, namely ferrocene [20] and 1,1Ј-tetramethylethyleneferrocene (4). [21] In ferrocene, the metal is sandwiched equidistantly between the two parallel cyclopentadienyl rings, with the FeϪC distance being 2.045 Å . At room temperature, the rings adopt a staggered conformation, around 3.320 Å apart from each other with a CϪC bond length of 1.403 Å .…”

A Simple New Structural Force Field for the Computation of Linear Metallocenes

“…CpϪ[1,1,2,2-(Me) 4 Et]ϪCp METFER [45] bridged (3-tBuCp) 2 Ϫ1,1,2,2-(Me) 4 Et TOGFAW [46] Experimental Structural Data…”