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
C34H36Cl2N2O2Zr
InChI=1/2C17H20NO.2ClH.Zr/c2*1-17(2,3)15-11-7-8-13(16(15)19)12-18-14-9-5-4-6-10-14;;;/h2*4-11,19H,12H2,1-3H3;2*1H;/q2*-1;;;+6/p-4
| Controlled Keywords: | zirconium compounds |
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| Date Created: | 30 September 2004 |
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| Deposited On: | 16 Feb 2010 16:04 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C34 H36 Cl2 N2 O2 Zr |
| Crystal morphology | Rod |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 8.7496(11) |
| Cell length b | 13.8365(19) |
| Cell length c | 14.3072(17) |
| Cell angle alpha | 72.530(10) |
| Cell angle beta | 75.045(10) |
| Cell angle gamma | 75.284(9) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1041 |
| R Factor (Obs) | 0.0661 |
| R Factor (All) | 0.0813 |
| Weighted R Factor (Obs) | 0.1568 |
| Weighted R Factor (All) | 0.1695 |
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/1133/)
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