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
C35H28Cl4F10N2O2Ti
InChI=1/2C17H15F5NO.CH2Cl2.2ClH.Ti/c2*1-17(2,3)9-6-4-5-8(16(9)24)7-23-15-13(21)11(19)10(18)12(20)14(15)22;2-1-3;;;/h2*4-6,24H,7H2,1-3H3;1H2;2*1H;/q2*-1;;;;+6/p-4
Controlled Keywords: | transition metals, titanium compounds |
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Date Created: | 30 January 2004 |
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Deposited On: | 16 Feb 2010 15:31 |
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Deposited By: | Mr Steve Lamond |
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Data collection parameters
Chemical formula | C35 H28 Cl4 F10 N2 O2 Ti |
Crystal morphology | |
Crystal system | Monoclinic |
Space group symbol | P2(1)/n |
Cell length a | 11.6977(16) |
Cell length b | 25.703(4) |
Cell length c | 12.3678(16) |
Cell angle alpha | 90.00 |
Cell angle beta | 92.124(8) |
Cell angle gamma | 90.00 |
Data collection temperature | 120(2) |
Refinement results
Solution figure of merit | |
R Factor (Obs) | 0.1280 |
R Factor (All) | 0.3080 |
Weighted R Factor (Obs) | 0.1972 |
Weighted R Factor (All) | 0.2582 |
Citation: Lancaster, Simon J. and Coles, Simon J. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1132/)
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