C~48~H~60~F~6~Fe~4~Ga~4~O~8~, 3(C~32~H~12~BF~24~)

Sample Originator: Simon Aldridgea.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of Oxforda
University of Southamptonb



Identification Number:10.5258/ecrystals/1180
Controlled Keywords:metal carbenes
Date Created:23 February 2006
Deposited On:28 Mar 2012 13:04
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There was disordered in the various ionic species. The SQUEEZE program was used to remove a highly disordered species, which might have been a [cp*Fe(CO)3]+ ion.

Data collection parameters

Chemical formulaC144 H96 B3 F78 Fe4 Ga4 O8
Crystal morphologyBlock
Crystal systemhexagonal
Space group symbolR-3
Cell length a24.595(2)
Cell length b24.595(2)
Cell length c48.278(6)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma120.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0974
R Factor (All)0.1306
Weighted R Factor (Obs)0.2097
Weighted R Factor (All)0.2270

Citation: Aldridge, Simon and Horton, Peter N. and Hursthouse, Michael B. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1180)
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