Sample Originator: Martin B. Smitha.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
Loughborough Universitya
University of Southamptonb
c29H28Cl2IrN2PS2
InChI=1/C19H16ClN2PS2.C10H15.ClH.Ir/c20-14-11-12-17-18(13-14)25-19(21-17)22-23(24,15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-6-7(2)9(4)10(5)8(6)3;;/h1-13,23-24H,(H,21,22);1-5H3;1H;
| Date Created: | 01 August 2000 |
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| Deposited On: | 23 Dec 2014 13:02 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C29 H28 Cl2 Ir N2 P S2 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/n |
| Cell length a | 7.97970(10) |
| Cell length b | 16.1834(2) |
| Cell length c | 21.5337(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.4090(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0271 |
| R Factor (All) | 0.0337 |
| Weighted R Factor (Obs) | 0.0624 |
| Weighted R Factor (All) | 0.0650 |
Citation: Smith, Martin B. and Light, Mark E. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/738/)
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