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
C22H18Cl2N4Ti
InChI=1/2C11H10N2.2ClH.Ti/c2*1-2-5-10(6-3-1)13-9-11-7-4-8-12-11;;;/h2*1-8H,9H2;2*1H;/q2*-2;;;+6/p-2
| Controlled Keywords: | titanium compounds, catalysis |
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| Date Created: | 09 August 2005 |
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| Deposited On: | 17 Feb 2010 13:45 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C22 H18 Cl2 N4 Ti |
| Crystal morphology | Blade |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 11.5255(6) |
| Cell length b | 14.0330(7) |
| Cell length c | 14.1939(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 113.615(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0683 |
| R Factor (Obs) | 0.0571 |
| R Factor (All) | 0.0948 |
| Weighted R Factor (Obs) | 0.0986 |
| Weighted R Factor (All) | 0.1117 |
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/1143/)
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