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CAGLIARI 137a - C36H48Hg2O8P4S8

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

C36H48Hg2O8P4S8

InChI=1/C9H13O2PS2.C9H12O2PS.Hg.H2S/c1-3-11-12(13,14)9-6-4-8(10-2)5-7-9;1-3-11-12(13)9-6-4-8(10-2)5-7-9;;/h4-7,12H,3H2,1-2H3;4-7H,3H2,1-2H3;;1H2/q-2;-1;+4;/p-1

Identification Number:10.5258/ecrystals/250
Date Created:14 December 2006
Deposited On:21 Jan 2008 15:30
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC36 H48 Hg2 O8 P4 S8
Crystal morphologyBlock
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a15.2671(3)
Cell length b14.7379(2)
Cell length c10.5379(3)
Cell angle alpha90.00
Cell angle beta95.0040(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0207
R Factor (All)0.0231
Weighted R Factor (Obs)0.0437
Weighted R Factor (All)0.0446

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/250)
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