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02src283 - C17H27FeIN2

Sample Originator: Ian R. Butlera.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of Wales, Bangora
University of Southamptonb

C17H27FeIN2

InChI=1/C12H22N2.C5H7.Fe.HI/c1-13(2)9-11-7-6-8-12(11)10-14(3,4)5;1-2-4-5-3-1;;/h6-8H,9-10H2,1-5H3;1-2,5H,3-4H2;;1H

Identification Number:10.5258/ecrystals/909
Controlled Keywords:iron, catalysis, ferrocene compounds
Date Created:17 May 2002
Deposited On:28 Mar 2012 12:59
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC17 H27 Fe I N2
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a12.1886(2)
Cell length b9.59230(10)
Cell length c31.3227(5)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0346
R Factor (Obs)0.0291
R Factor (All)0.0363
Weighted R Factor (Obs)0.0588
Weighted R Factor (All)0.0607

Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/909)
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