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94SRC267 - C22H21FeIN2

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

C22H21FeIN2

InChI=1/C16H17N2.C5H7.CH4.Fe.HI/c1-3-5-6-16-13-15(7-10-17-16)14-8-11-18(4-2)12-9-14;1-2-4-5-3-1;;;/h3,5-13H,1,4H2,2H3;1-2,5H,3-4H2;1H4;;1H/b6-5+;;;;

Identification Number:10.5258/ecrystals/1018
Controlled Keywords:ferrocene compounds
Date Created:28 September 1994
Deposited On:14 Aug 2013 23:21
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC22 H21 Fe I N2
Crystal morphology
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a10.928(6)
Cell length b9.691(3)
Cell length c19.208(9)
Cell angle alpha90.00
Cell angle beta93.89(3)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0406
R Factor (All)0.0900
Weighted R Factor (Obs)0.0899
Weighted R Factor (All)0.0989

Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1018)
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