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00SRC186(764) - C13H10OS4

Sample Originator: P J Murphya.

Data Collection: Thomas Gelbrichb and Michael B. Hursthouseb

Structure Determination: Thomas Gelbrichb.

University of Wales, Bangora
University of Southamptonb

C13H10OS4

InChI=1/C6H6OS2.CH4.2H2/c7-5-9-4-6-1-2-8-3-6;;;/h1-3,5H,4H2;1H4;2*1H

Identification Number:10.5258/ecrystals/824
Date Created:23 May 2000
Deposited On:08 Nov 2013 15:24
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC13 H10 O S4
Crystal morphology
Crystal systemOrthorhombic
Space group symbolPbcn
Cell length a14.5002(3)
Cell length b13.4816(3)
Cell length c7.00910(10)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0380
R Factor (All)0.0426
Weighted R Factor (Obs)0.1019
Weighted R Factor (All)0.1049

Citation: Murphy, P J and Gelbrich, Thomas and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/824)
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Available Files

Final Result

00src186.cif11k
00src186.cml3k

Validation

00src186_checkcif.htm7k

Refinement

00src186.res4k

Processing

00src186.HKL194k

Other Files

00src186.DOC40k
00src186.inchi1k
00src186.mol2k
00src186_ellipsoid.gif18k

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