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C~46~H~38~Cl~2~FeNiP~3~, CHCl~3~

Sample Originator: Ian R. Butlera.

Data Collection: Simon J. Colesb and Michael B. Hursthouseb

Structure Determination: Simon J. Colesb.

University College of North Walesa
University of Southamptonb

C47H39Cl5FeNiP3

InChI=1/C29H25P2.C17H16P.CH3Cl.2Cl2.3ClH.Fe.Ni/c1-5-14-24(15-6-1)30(25-16-7-2-8-17-25)28-22-13-23-29(28)31(26-18-9-3-10-19-26)27-20-11-4-12-21-27;1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;3*1-2;;;;;/h1-22,31H,23H2;1-7,9-14,17H,8H2;1H3;;;3*1H;;/q+1;;;;;;;;;/p-1

Identification Number:10.5258/ecrystals/1106
Controlled Keywords:ferrocene compounds, nickel compounds
Date Created:13 August 2005
Deposited On:10 Jun 2013 17:03
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC47 H39 Cl5 Fe Ni P3
Crystal morphologyBlock
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a10.6819(2)
Cell length b28.4913(6)
Cell length c15.1257(3)
Cell angle alpha90.00
Cell angle beta106.9860(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0719
R Factor (Obs)0.0505
R Factor (All)0.0707
Weighted R Factor (Obs)0.1077
Weighted R Factor (All)0.1153

Citation: Butler, Ian R. and Coles, Simon J. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1106)
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