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C~72~H~162~C~l3~P~6~Ru~2~, C~24~H~54~C~l4~P~2~Ru

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
Controlled Keywords:catalysis, ruthenium compounds
Date Created:23 March 2005
Deposited On:10 Jun 2013 17:07
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There was some disorder in the butyl chains which was modelled.

Data collection parameters

Chemical formulaC96 H216 Cl7 P8 Ru3
Crystal morphologyPlate
Crystal systemmonoclinic
Space group symbolC2/c
Cell length a35.086(7)
Cell length b14.184(3)
Cell length c26.639(5)
Cell angle alpha90.00
Cell angle beta119.17(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0559
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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