Sample Originator: Martin B. Smitha.
Data Collection: Mark E. Lightb and Michael B. Hursthouseb
Structure Determination: Mark E. Lightb.
Loughborough Universitya
University of Southamptonb
C48H49Cl10IrN2OP
(C45H45N2OPIr . 2CHCl3 . CH2Cl2 . 2Cl)
InChI=1/C35H32N2OP.C10H15.2CH4O.2ClH.Ir/c1-24-21-32-33(22-25(24)2)37-31(23-30(36-32)28-17-9-11-19-34(28)38)29-18-10-12-20-35(29)39(26-13-5-3-6-14-26)27-15-7-4-8-16-27;1-6-7(2)9(4)10(5)8(6)3;2*1-2;;;/h3-23,30-31,36-38H,1-2H3;1-5H3;2*2H,1H3;2*1H;/t30?,31-;;;;;;/m0....../s1
| Date Created: | 05 March 2001 |
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| Deposited On: | 23 Dec 2014 13:10 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C47 H54 Cl2 Ir N2 O3 P |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 10.4777(4) |
| Cell length b | 10.9221(3) |
| Cell length c | 19.7314(8) |
| Cell angle alpha | 97.1510(16) |
| Cell angle beta | 92.3640(15) |
| Cell angle gamma | 97.7630(15) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0627 |
| R Factor (All) | 0.0965 |
| Weighted R Factor (Obs) | 0.1282 |
| Weighted R Factor (All) | 0.1374 |
Citation: Smith, Martin B. and Light, Mark E. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/723/)
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