Sample Originator: Ian R. Butlera.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
University College of North Walesa
University of Southamptonb
C96H216Cl7P8Ru3
InChI=1/2C12H27P.C10H23P.C9H21P.2C2H6.5CH4.4ClH.2Ru.5H2/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;1-4-7-9-11(6-3)10-8-5-2;1-4-6-8-10(3)9-7-5-2;2*1-2;;;;;;;;;;;;;;;;/h2*4-12H2,1-3H3;4-10H2,1-3H3;4-9H2,1-3H3;2*1-2H3;5*1H4;4*1H;;;5*1H/q;;;;;;;;;;;;;;;-1;+1;;;;;
| Identification Number: | 10.5258/ecrystals/1104 |
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| Controlled Keywords: | catalysis, ruthenium compounds |
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| Date Created: | 23 March 2005 |
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| Deposited On: | 10 Jun 2013 17:07 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
All hydrogen atoms were fixed.
There was some disorder in the butyl chains which was modelled.
Data collection parameters
| Chemical formula | C96 H216 Cl7 P8 Ru3 |
| Crystal morphology | Plate |
| Crystal system | monoclinic |
| Space group symbol | C2/c |
| Cell length a | 35.086(7) |
| Cell length b | 14.184(3) |
| Cell length c | 26.639(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 119.17(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0559 |
| R Factor (Obs) | 0.0494 |
| R Factor (All) | 0.0877 |
| Weighted R Factor (Obs) | 0.1187 |
| Weighted R Factor (All) | 0.1385 |
Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. and Coles, Simon J. (2005) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1104)
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