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95SRC300(1086) - C23H23Br2Fe2P

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

C23H23Br2Fe2P

InChI=1/C13H16P.C5H5Br.C5H6.BrH.2Fe/c1-11(2)14(12-7-3-4-8-12)13-9-5-6-10-13;6-5-3-1-2-4-5;1-2-4-5-3-1;;;/h3-12H,1-2H3;1-3H,4H2;1-4H,5H2;1H;;

Date Created:17 October 1995
Deposited On:23 Dec 2014 13:35
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC23 H29 Br2 Fe2 P
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a7.6828(10)
Cell length b9.4950(14)
Cell length c14.6420(13)
Cell angle alpha99.180(9)
Cell angle beta93.392(5)
Cell angle gamma90.311(9)
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)
R Factor (All)0.0799
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/757/)
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Available Files

Final Result

95SRC300.CIF18k
95SRC300.cml8k

Validation

95SRC300_checkcif.htm17k

Refinement

95SRC300.res7k

Processing

95SRC300.HKL119k

Other Files

95SRC300.inchi2k
95SRC300.mol4k
95SRC300_ellipsoid.gif26k
S92.txt21k

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