C~92~H~74~Br~6~Fe~2~Ni~3~P~6~, 2(C~4~H~10~O)

Sample Originator: Ian R. Butlera.

Data Collection: Peter N. Hortonb, Michael B. Hursthouseb and Simon J. Colesb

Structure Determination: Peter N. Hortonb.

University College of North Walesa
University of Southamptonb



Controlled Keywords:ferrocene compounds
Date Created:14 November 2005
Deposited On:03 Sep 2015 16:39
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. The crystal was twinned. There was some disorder in the solvent molecules.

Data collection parameters

Chemical formulaC100 H94 Br6 Fe2 Ni3 O2 P6
Crystal morphologySlab
Crystal systemmonoclinic
Space group symbolP2(1)
Cell length a9.371(3)
Cell length b17.525(5)
Cell length c27.620(7)
Cell angle alpha90.00
Cell angle beta91.900(17)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0772
R Factor (Obs)0.1364
R Factor (All)0.1816
Weighted R Factor (Obs)0.3311
Weighted R Factor (All)0.3764

Citation: Butler, Ian R. and Horton, Peter N. and Hursthouse, Michael B. and Coles, Simon J. (2005) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1110/)
Export as: oreChem EndNote BibTeX ASCII Citation


This item is embargoed, The embargo will be lifted on 01 August 2022. This is only viewable by the authors and respository staff, If you would like to show this item to a guest, share this url: http://ecrystals.chem.soton.ac.uk/1110/?key=54933b335da062b700dd50d82c876c8e

Repository Staff Only: item control page