CAGLIARI 172 - C21H22Fe0.5N1Ni0.5O2P1S2

Sample Originator: Francesco Devillanovaa, Carla Aragonia and Massimiliano Arcaa.

Data Collection: Susanne L. Huthb

Structure Determination: Susanne L. Huthb and Michael B. Hursthouseb.

Universita Degli Studi Di Cagliari, Italya
University of Southamptonb



Identification Number:10.5258/ecrystals/231
Date Created:13 December 2006
Deposited On:21 Jan 2008 15:29
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC21 H22 Fe0.50 N Ni0.50 O2 P S2
Crystal morphologyBlock
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.1961(3)
Cell length b10.5439(4)
Cell length c12.5033(4)
Cell angle alpha113.948(2)
Cell angle beta98.202(2)
Cell angle gamma95.732(2)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0421
R Factor (All)0.0734
Weighted R Factor (Obs)0.0849
Weighted R Factor (All)0.0955

Citation: Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and Huth, Susanne L. and Hursthouse, Michael B. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/231)
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