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95SRC151 (1106) - C24H16CrFeN2O4

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

C24H16CrFeN2O4

InChI=1/C15H11N2.C5H6.4CH3O.Cr.Fe/c1-2-7-12(6-1)13-9-5-10-15(17-13)14-8-3-4-11-16-14;1-2-4-5-3-1;4*1-2;;/h1-11H;1-4H,5H2;4*2H,1H2;;

Date Created:07 June 1995
Deposited On:23 Dec 2014 13:34
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC24 H16 Cr Fe N2 O4
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a12.779(3)
Cell length b13.0204(15)
Cell length c12.8041(13)
Cell angle alpha90.00
Cell angle beta94.119(10)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)
R Factor (All)0.0475
Weighted R Factor (Obs)
Weighted R Factor (All)

Citation: Butler, Ian. R. and Coles, Simon J. and Hursthouse, Michael B. (1995) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/756/)
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Available Files

Final Result

95SRC151.CIF16k
95SRC151.cml7k

Validation

95SRC151_checkcif.htm13k

Refinement

95SRC151.res7k

Processing

95SRC151.HKL213k

Other Files

95SRC151.inchi2k
95SRC151.mol4k
95SRC151_ellipsoid.gif23k
S92.txt16k

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