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C~22~H~8~Cl~2~F~10~N~4~Ti

Sample Originator: Simon J. Lancastera.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of East Angliaa
University of Southamptonb

C22H8Cl2F10N4Ti

InChI=1/C7H3F5N.C4H4N.ClH.Ti/c1-13-7-5(11)3(9)2(8)4(10)6(7)12;1-2-4-5-3-1;;/h1H3;1-4H;1H;/q2*-1;;+3/p-1

Controlled Keywords:transition metals, titanium compounds
Date Created:01 April 2005
Deposited On:17 Feb 2010 13:18
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC22 H8 Cl2 F10 N4 Ti
Crystal morphologyBlock
Crystal systemMonoclinic
Space group symbolC2/c
Cell length a14.034(3)
Cell length b7.5893(15)
Cell length c22.296(5)
Cell angle alpha90.00
Cell angle beta104.38(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0772
R Factor (Obs)0.0315
R Factor (All)0.0404
Weighted R Factor (Obs)0.0879
Weighted R Factor (All)0.0953

Citation: Lancaster, Simon J. and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1140/)
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