Sample Originator: Duncan W. Brucea.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of Exetera
University of Southamptonb



Controlled Keywords:copper compounds
Date Created:01 March 2004
Deposited On:16 Feb 2010 15:56
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. The structure contains infinite tapes of copper and chloride ions bounded by aromatic rings.

Data collection parameters

Chemical formulaC9 H6 Cl3 Cu3 N Se
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a3.7872(3)
Cell length b14.5657(11)
Cell length c22.444(2)
Cell angle alpha90.00
Cell angle beta91.700(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0442
R Factor (Obs)0.0877
R Factor (All)0.1417
Weighted R Factor (Obs)0.1610
Weighted R Factor (All)0.1764

Citation: Bruce, Duncan W. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1101/)
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