6(C~60~H~70~N~2~O~4~Ti), 0.5(C~8~H~20~), 8(C~4~H~10~O), O

Sample Originator: Manfred Bochmanna.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of East Angliaa
University of Southamptonb



Controlled Keywords:homogenous catalysis
Date Created:03 February 2006
Deposited On:18 Feb 2010 11:26
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. One of the ether molecules was disordered over 2 main sites plus it was placed on an inversion centre, hence the half for the oxygen in the formula

Data collection parameters

Chemical formulaC66 H85 N2 O5.50 Ti
Crystal morphologyLath
Crystal systemtriclinic
Space group symbolP-1
Cell length a13.7337(4)
Cell length b16.2802(5)
Cell length c42.8540(14)
Cell angle alpha96.2270(10)
Cell angle beta91.6590(10)
Cell angle gamma107.0150(10)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0941
R Factor (All)0.1684
Weighted R Factor (Obs)0.1666
Weighted R Factor (All)0.2008

Citation: Bochmann, Manfred and Horton, Peter N. and Hursthouse, Michael B. (2006) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1059/)
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