CAGLIARI 167 - C28H33N3Ni1O5P2S4

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

Data Collection: Michael B. Hursthouseb

Structure Determination: Susanne L. Huthb.

Universita Degli Studi Di Cagliari, Italya
University of Southamptonb



Identification Number:10.5258/ecrystals/229
Date Created:12 December 2006
Deposited On:21 Jan 2008 15:29
Deposited By:Mrs L. Susanne Coles (née) Huth

Depositor Comments

pseudosymmetry, modelled 50% disorder, includes a molecule of MeOH solvent

Data collection parameters

Chemical formulaC28 H33 N3 Ni O5 P2 S4
Crystal morphologySlab
Crystal systemTriclinic
Space group symbolP-1
Cell length a8.8804(2)
Cell length b14.1275(4)
Cell length c14.1255(3)
Cell angle alpha91.749(2)
Cell angle beta107.376(2)
Cell angle gamma107.3820(10)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0419
R Factor (All)0.0756
Weighted R Factor (Obs)0.0895
Weighted R Factor (All)0.1031

Citation: Devillanova, Francesco and Aragoni, Carla and Arca, Massimiliano and Hursthouse, Michael B. and Huth, Susanne L. (2006) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/229)
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