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93SRC058 - C11H6S2N4O3W

Sample Originator: P Baker and Michael B. Hursthousea.

Data Collection: Michael B. Hursthousea

University of Southamptona

C11H6S2N4O3W

InChI=1/2C4H4N2S.3CH3O.W/c2*7-4-5-2-1-3-6-4;3*1-2;/h2*1-3H,(H,5,6,7);3*2H,1H2;/q;;;;;+2/p-2

Identification Number:10.5258/ecrystals/1019
Controlled Keywords:tungsten
Date Created:28 May 1993
Deposited On:14 Aug 2013 23:28
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC11 H6 N4 O3 S2 W
Crystal morphology
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a9.896(4)
Cell length b13.4790(15)
Cell length c11.6350(7)
Cell angle alpha90.00
Cell angle beta111.423(10)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0778
R Factor (All)0.0832
Weighted R Factor (Obs)0.2017
Weighted R Factor (All)0.2078

Citation: Baker, P and Hursthouse, Michael B. (1993) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1019)
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