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CAGLIARI 142 - C29H34Cd1N2O4P2S4

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

C29H34Cd1N2O4P2S4

InChI=1/C13H14N2.2C8H11O2PS2.Cd/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;2*1-9-7-3-5-8(6-4-7)11(12,13)10-2;/h4-11H,1-3H2;2*3-6,11H,1-2H3;/q;2*-2;+5

Identification Number:10.5258/ecrystals/248
Date Created:14 December 2006
Deposited On:21 Jan 2008 15:30
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC29 H34 Cd N2 O4 P2 S4
Crystal morphologyFragment
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a10.7073(4)
Cell length b16.3214(4)
Cell length c19.5513(6)
Cell angle alpha90.00
Cell angle beta91.799(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0311
R Factor (All)0.0461
Weighted R Factor (Obs)0.0663
Weighted R Factor (All)0.0727

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/248)
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