Sample Originator: Stuart L. Jamesa and M. Cristina Lagunasa.
Data Collection: Peter N. Hortonb
Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.
Queen's University, Belfasta
University of Southamptonb
C54H39Au2Cl4F6OP2
InChI=1/C39H32OP2.2C6Cl2F3.C3H8.2Au/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;2*7-4-2(9)1-3(10)5(8)6(4)11;1-3-2;;/h3-28H,1-2H3;;;3H2,1-2H3;;/q;;;;2*-1/p+2
| Identification Number: | 10.5258/ecrystals/601 |
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| Controlled Keywords: | gold complexes, phosphine |
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| Date Created: | 23 September 2008 |
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| Deposited On: | 23 Sep 2008 14:49 |
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| Deposited By: | Dr Peter N Horton |
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Data collection parameters
| Chemical formula | C54 H39 Au2 Cl4 F6 O P2 |
| Crystal morphology | Block |
| Crystal system | triclinic |
| Space group symbol | P-1 |
| Cell length a | 12.17660(10) |
| Cell length b | 14.4577(2) |
| Cell length c | 15.1547(2) |
| Cell angle alpha | 76.8180(10) |
| Cell angle beta | 79.6220(10) |
| Cell angle gamma | 73.5100(10) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 82.13 |
| R Factor (Obs) | 0.0213 |
| R Factor (All) | 0.0267 |
| Weighted R Factor (Obs) | 0.0424 |
| Weighted R Factor (All) | 0.0438 |
Citation: James, Stuart L. and Lagunas, M. Cristina and Horton, Peter N. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/601)
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