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
C9H6Cl3Cu3NSe
InChI=1/C9H7NSe.3ClH.3Cu/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;/h1-6,11H;3*1H;;;/q;;;;;2*+2/p-4
| Controlled Keywords: | copper compounds |
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| Date Created: | 01 March 2004 |
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| Deposited On: | 16 Feb 2010 15:56 |
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| Deposited By: | Mr Steve Lamond |
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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 formula | C9 H6 Cl3 Cu3 N Se |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 3.7872(3) |
| Cell length b | 14.5657(11) |
| Cell length c | 22.444(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.700(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0442 |
| 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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