Crystal structure of [Cp2Ti(THF)2][Co(CO)4]: variation of OTiO angles in the same crystal

Autor:	Kathryn S. Campo, Joseph S. Merola, Robert A. Gentile, M. A. Modrick
Rok vydání:	1989
Předmět:	Steric effects Chemistry Stereochemistry Crystal structure Inorganic Chemistry Crystal Crystallography chemistry.chemical_compound X-ray crystallography Acentric factor Materials Chemistry Molecule Physical and Theoretical Chemistry Metallocene Monoclinic crystal system
Zdroj:	Inorganica Chimica Acta. 165:87-90
ISSN:	0020-1693
DOI:	10.1016/s0020-1693(00)83405-2
Popis:	The molecular structure of [Cp 2 Ti(THF) 2 ] [Co(CO) 4 ] has been determined by X-ray diffraction at −104 °C. The compound crystallizes in the acentric monoclinic space group P 2 1 with a = 7.812(4), b = 15.010(4), c = 28.445(9) A, β = 94.10(3)°, V = 3327.1 A 3 and Z = 6. The unique feature of this crystal structure is that there are three independent cation/anion pairs in the unit cell and that the structure of the Cp 2 Ti(THF) 2 + fragment is significantly different for each. The most significant difference lies in the OTiO angles which range from 77.2 to 82.9°. This result points out the magnitude of the effect that steric requirements due to crystal packing forces can have in determining structural features.
Databáze:	OpenAIRE
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