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C~34~H~36~Cl~2~N~2~O~2~Zr

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
Date Created:30 September 2004
Deposited On:16 Feb 2010 16:04
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC34 H36 Cl2 N2 O2 Zr
Crystal morphologyRod
Crystal systemTriclinic
Space group symbolP-1
Cell length a8.7496(11)
Cell length b13.8365(19)
Cell length c14.3072(17)
Cell angle alpha72.530(10)
Cell angle beta75.045(10)
Cell angle gamma75.284(9)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1041
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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