Logo

CAGLIARI 143 - C26H28Cd1N2O4P2S4

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

C26H28Cd1N2O4P2S4

InChI=1/C8H11O2PS2.C5H5N.Cd/c1-9-7-3-5-8(6-4-7)11(12,13)10-2;1-2-4-6-5-3-1;/h3-6,11H,1-2H3;1-5H;/q-2;;+3

Identification Number:10.5258/ecrystals/247
Date Created:14 December 2006
Deposited On:21 Jan 2008 15:30
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC26 H28 Cd N2 O4 P2 S4
Crystal morphologyCut Block
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a10.3791(6)
Cell length b17.5735(8)
Cell length c8.1030(3)
Cell angle alpha90.00
Cell angle beta100.512(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0236
R Factor (All)0.0291
Weighted R Factor (Obs)0.0543
Weighted R Factor (All)0.0572

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/247)
Export as: oreChem EndNote BibTeX ASCII Citation

Repository Staff Only: item control page