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*98SRC060(1134) - C27H22BrFe1.50Si

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

C27H22BrFe1.50Si

InChI=1/C22H20Si.C5H5Br.2Fe/c1-3-11-19(12-4-1)23(21-15-7-8-16-21,22-17-9-10-18-22)20-13-5-2-6-14-20;6-5-3-1-2-4-5;;/h1-7,9,11-18H,8,10H2;1-3H,4H2;;

Date Created:06 March 1998
Deposited On:23 Dec 2014 13:30
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC27 H22 Br Fe1.50 Si
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a13.275(3)
Cell length b10.233(2)
Cell length c17.999(4)
Cell angle alpha90.00
Cell angle beta111.60(3)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)
R Factor (All)0.1453
Weighted R Factor (Obs)
Weighted R Factor (All)

Citation: Butler, Ian. R. and Coles, Simon J. and Hursthouse, Michael B. (1998) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/754/)
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Available Files

Final Result

98SRC060.cif18k
98SRC060.cml8k

Validation

98SRC060_checkcif.htm16k

Refinement

98SRC060.res4k

Processing

98src060.hkl1k

Other Files

98SRC060.inchi2k
98SRC060.mol4k
98SRC060_ellipsoid.gif33k

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