CAGLIARI 173 - C40H52N1Ni1S4

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

Data Collection: Louise Maleb, Ross Harringtonc and Bill Cleggc

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

Universita Degli Studi Di Cagliari, Italya
University of Southamptonb
University of Newcastlec



Identification Number:10.5258/ecrystals/232
Date Created:13 December 2006
Deposited On:21 Jan 2008 15:29
Deposited By:Mrs L. Susanne Coles (née) Huth

Depositor Comments

Collected at Daresbury Station 9.8

Data collection parameters

Chemical formulaC40 H52 N Ni S4
Crystal morphology
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a12.113(5)
Cell length b16.307(6)
Cell length c19.257(8)
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)0.0529
R Factor (All)0.0679
Weighted R Factor (Obs)0.1220
Weighted R Factor (All)0.1317

Citation: Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and Male, Louise and Harrington, Ross and Clegg, Bill and Huth, Susanne L. and Hursthouse, Michael B. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/232)
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