C~45~H~45~IrN~2~OP, F~6~P, 0.5(CH~4~O), Cl

Sample Originator: Martin B. Smitha.

Data Collection: Mark E. Lightb and Michael B. Hursthouseb

Structure Determination: Mark E. Lightb.

Loughborough Universitya
University of Southamptonb



Controlled Keywords:polyphosphines
Date Created:07 May 2002
Deposited On:16 Feb 2010 13:52
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were placed in idealised positions and refined using a riding model.

Data collection parameters

Chemical formulaC45.50 H47 Cl F6 Ir N2 O1.50 P2
Crystal morphology
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a9.717(3)
Cell length b21.562(8)
Cell length c19.784(10)
Cell angle alpha90.000
Cell angle beta91.242(1)
Cell angle gamma90.000
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0659
R Factor (All)0.1768
Weighted R Factor (Obs)0.0982
Weighted R Factor (All)0.1256

Citation: Smith, Martin B. and Light, Mark E. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1148/)
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