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94SRC191 - C22H16FeN2O4

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

C22H16FeN2O4

InChI=1/C17H13N2O4.C5H5.Fe/c20-18(21)14-8-4-12(5-9-14)16-2-1-3-17(16)13-6-10-15(11-7-13)19(22)23;1-2-4-5-3-1;/h1-11H,(H,20,21)(H,22,23);1-5H;

Identification Number:10.5258/ecrystals/1034
Controlled Keywords:iron
Date Created:03 August 1994
Deposited On:10 Jun 2013 17:20
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC22 H16 Fe N2 O4
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a7.526(2)
Cell length b14.2210(10)
Cell length c17.276(3)
Cell angle alpha90.00
Cell angle beta92.34(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0528
R Factor (All)0.0991
Weighted R Factor (Obs)0.1299
Weighted R Factor (All)0.1685

Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1034)
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