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CAGLIARI 144a - C28H32Cd1N2O4P2S4

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

C28H32Cd1N2O4P2S4

InChI=1/2C8H11O2PS2.2C6H7N.Cd/c2*1-9-7-3-5-8(6-4-7)11(12,13)10-2;2*1-6-2-4-7-5-3-6;/h2*3-6,11H,1-2H3;2*2-5H,1H3;/q2*-2;;;+6

Identification Number:10.5258/ecrystals/246
Date Created:14 December 2006
Deposited On:21 Jan 2008 15:30
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC28 H32 Cd N2 O4 P2 S4
Crystal morphologyPrism
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a12.1056(6)
Cell length b17.5149(11)
Cell length c15.3373(12)
Cell angle alpha90.00
Cell angle beta99.041(6)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0281
R Factor (All)0.0375
Weighted R Factor (Obs)0.0607
Weighted R Factor (All)0.0647

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/246)
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