Sample Originator: Simon J. Lancastera.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University of East Angliaa
University of Southamptonb
C25.50H26Cl2N2O4Zr
InChI=1/2C10H12NO2.C5H5.CH3Cl.ClH.Zr/c2*1-7-3-2-4-8(9(7)12)10-11-5-6-13-10;1-2-4-5-3-1;1-2;;/h2*2-4,10,12H,5-6H2,1H3;1-5H;1H3;1H;/q2*-1;;;;+5/p-3
| Controlled Keywords: | zirconium compounds |
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| Date Created: | 04 November 2003 |
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| Deposited On: | 16 Feb 2010 15:27 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C25.50 H26 Cl2 N2 O4 Zr |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 25.787(4) |
| Cell length b | 12.6876(15) |
| Cell length c | 15.5818(17) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 106.758(12) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0578 |
| R Factor (Obs) | 0.0540 |
| R Factor (All) | 0.1119 |
| Weighted R Factor (Obs) | 0.1013 |
| Weighted R Factor (All) | 0.1189 |
Citation: Lancaster, Simon J. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1131/)
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