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Ferrocene complex (2010src0401)

Sample Originator: John Spencerb.

Data Collection: Graham J. Tizzarda and Simon J. Colesa

Structure Determination: Graham J. Tizzarda and Simon J. Colesa.

University of Southamptona
University of Greenwichb

C41H40Cl2Fe2N6O4

InChI=1/C11H11N2.C5H5.Fe/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10;1-2-4-5-3-1;/h2-9H,1H3;1-5H;/b12-9+;;

Identification Number:10.5258/ecrystals/1277
Controlled Keywords:organometallic complexes, ferrocene compounds
Date Created:03 June 2010
Deposited On:28 Mar 2012 13:03
Deposited By:Dr G J Tizzard

Data collection parameters

Chemical formulaC16 H16 Fe N2
Crystal morphologyCut Block
Crystal systemorthorhombic
Space group symbolP b c a
Cell length a17.3279(2)
Cell length b7.36480(10)
Cell length c20.9885(3)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0328
R Factor (All)0.0386
Weighted R Factor (Obs)0.0773
Weighted R Factor (All)0.0813

Citation: Tizzard, Graham J. and Coles, Simon J. and Spencer, John (2010) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1277)
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