Sample Originator: Matin, B. Smitha.
Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb
Structure Determination: Thomas Gelbrichb.
Loughborough Universitya
University of Southamptonb
C52H57NOP2Cl4Ru2 . 3CDCl3
InChI=1/C32H29NOP2.2C10H15.3CHCl3.4ClH.2Ru/c34-28-23-21-27(22-24-28)33(25-35(29-13-5-1-6-14-29)30-15-7-2-8-16-30)26-36(31-17-9-3-10-18-31)32-19-11-4-12-20-32;2*1-8(2)10-6-4-9(3)5-7-10;3*2-1(3)4;;;;;;/h1-24,34H,25-26H2;4-6,8H,7H2,1-3H3;4-8,10H,1-3H3;3*1H;4*1H;;
| Date Created: | 10 June 2001 |
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| Deposited On: | 23 Dec 2014 12:56 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C55 H60 Cl13 N O P2 Ru2 |
| Crystal morphology | |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 19.1002(2) |
| Cell length b | 21.7245(3) |
| Cell length c | 29.1929(4) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0490 |
| R Factor (All) | 0.0838 |
| Weighted R Factor (Obs) | 0.0932 |
| Weighted R Factor (All) | 0.0995 |
Citation: Smith, Matin, B. and Gelbrich, Thomas and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/835/)
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