Logo

02SRC242 - C19H29Cl6FeIN2

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

C19H29Cl6FeIN2

InChI=1/C12H22N2.C5H6.2CHCl3.Fe.HI/c1-13(2)9-11-7-6-8-12(11)10-14(3,4)5;1-2-4-5-3-1;2*2-1(3)4;;/h6-8H,9-10H2,1-5H3;1-4H,5H2;2*1H;;1H

Identification Number:10.5258/ecrystals/908
Controlled Keywords:iron, ferrocene compounds, catalysis
Date Created:10 May 2002
Deposited On:24 Sep 2013 22:02
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC19 H29 Cl6 Fe I N2
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a13.853(4)
Cell length b12.661(4)
Cell length c16.390(4)
Cell angle alpha90.000
Cell angle beta105.906(2)
Cell angle gamma90.000
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1784
R Factor (Obs)0.0563
R Factor (All)0.1014
Weighted R Factor (Obs)0.1323
Weighted R Factor (All)0.1527

Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/908)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page