Logo

01SRC666(1147) - C52H57NOP2Cl4Ru2 . 3CDCl3

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
Deposited On:23 Dec 2014 12:56
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC55 H60 Cl13 N O P2 Ru2
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a19.1002(2)
Cell length b21.7245(3)
Cell length c29.1929(4)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(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/)
Export as: oreChem EndNote BibTeX ASCII Citation

Available Files

Final Result

01src666.cif34k
01src666.cml18k

Validation

01src666_checkcif.htm10k

Refinement

01src666.res17k

Processing

01src666.hkl2121k
01src666.htm6k

Other Files

01src666.doc103k
01src666.inchi5k
01src666.mol9k
01src666_ellipsoid.gif19k
pics.doc87k

Warning

This item is embargoed, The embargo will be lifted on 16 September 2012. This is only viewable by the authors and respository staff, If you would like to show this item to a guest, share this url: http://ecrystals.chem.soton.ac.uk/835/?key=c337226f3745b5aa127f5674d0e6896b

Repository Staff Only: item control page