Sample Originator: Andrew Marra, Annie Penn-Kooka and Sophie Lacroixa.
Data Collection: Peter N. Hortonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.
Queen's University, Belfasta
University of Southamptonb
C18H29N2Cl2Ir
InChI=1/C10H15.C8H15N2.2ClH.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-3-4-5-10-7-6-9(2)8-10;;;/h1-5H3;6-8H,3-5H2,1-2H3;2*1H;/q;;;;+2/p-2
| Identification Number: | 10.5258/ecrystals/701 |
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| Controlled Keywords: | iridium compounds, metal carbenes |
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| Date Created: | 22 April 2009 |
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| Deposited On: | 26 Jan 2010 13:24 |
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| Deposited By: | Dr Peter N Horton |
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Data collection parameters
| Chemical formula | C18 H29 Cl2 Ir N2 |
| Crystal morphology | Cut Slab |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 13.2510(2) |
| Cell length b | 8.7390(2) |
| Cell length c | 17.9308(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 110.1450(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 75.55 |
| R Factor (Obs) | 0.0239 |
| R Factor (All) | 0.0298 |
| Weighted R Factor (Obs) | 0.0448 |
| Weighted R Factor (All) | 0.0470 |
Citation: Marr, Andrew and Penn-Kook, Annie and Lacroix, Sophie and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/701)
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