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C~19~H~15~FeNO - C19H15FeNO

Sample Originator: Ian R. Butlera.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University of Wales, Bangora
University of Southamptonb

C19H15FeNO

InChI=1/2C14H11NO.C5H7.C5H6.2Fe/c2*16-13-7-3-6-11-8-9-12(15-14(11)13)10-4-1-2-5-10;2*1-2-4-5-3-1;;/h2*1,3-9,16H,2H2;1-2,5H,3-4H2;1-4H,5H2;;

Identification Number:10.5258/ecrystals/1202
Controlled Keywords:iron compounds
Date Created:01 October 2005
Deposited On:16 Feb 2010 13:14
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC19 H15 Fe N O
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a12.608(5)
Cell length b12.1123(12)
Cell length c19.7719(18)
Cell angle alpha90.00
Cell angle beta95.771(12)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0477
R Factor (All)0.1104
Weighted R Factor (Obs)0.0852
Weighted R Factor (All)0.0923

Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1202)
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