Sample Originator: Nicholas C. Fletchera and Heather Montgomerya.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Queen's University, Belfasta
University of Southamptonb
C17H15BrClN2O3Re
InChI=1/C14H15BrN2.3CH3O.ClH.Re/c15-9-3-1-5-12-7-8-14(17-11-12)13-6-2-4-10-16-13;3*1-2;;/h2,4,6-8,10-11H,1,3,5,9H2;3*2H,1H2;1H;/q;;;;;+1/p-1
| Identification Number: | 10.5258/ecrystals/1260 |
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| Controlled Keywords: | rhenium compounds, coordination complexes |
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| Date Created: | 08 March 2010 |
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| Deposited On: | 08 Mar 2010 14:56 |
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| Deposited By: | Dr Peter N Horton |
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Depositor Comments
User Refcode: HJM 128
There is disorder of one of the coordinated carbon monoxides and the chloride anion.
Data collection parameters
| Chemical formula | C17 H15 Br Cl N2 O3 Re |
| Crystal morphology | Cut Blade |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 8.5959(2) |
| Cell length b | 13.7519(4) |
| Cell length c | 15.1599(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 92.572(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0334 |
| R Factor (All) | 0.0441 |
| Weighted R Factor (Obs) | 0.0734 |
| Weighted R Factor (All) | 0.0774 |
Citation: Fletcher, Nicholas C. and Montgomery, Heather and Horton, Peter N. and Hursthouse, Michael B. (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1260)
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