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96SRC099 (1079) - C34H28FeP2

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

C34H28FeP2

InChI=1/C17H15P.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;/h1-14,17H;

Date Created:10 April 1996
Deposited On:23 Dec 2014 13:35
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC34 H28 Fe P2
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a8.6164(4)
Cell length b18.419(2)
Cell length c8.7071(7)
Cell angle alpha90.00
Cell angle beta101.283(11)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)
R Factor (All)0.0706
Weighted R Factor (Obs)
Weighted R Factor (All)

Citation: Butler, Ian. R. and Coles, Simon J. and Hursthouse, Michael B. (1996) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/760/)
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Available Files

Final Result

96src099.CIF13k
96src099.cml5k

Validation

96src099_checkcif.htm13k

Refinement

96src099.res5k

Processing

96src099.HKL162k

Other Files

96src099.inchi2k
96src099.mol3k
96src099.txt12k
96src099_ellipsoid.gif22k

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