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C~57~H~54~F~9~N~30~O~19~Pb~4~S~3~, 3(CF~3~O~3~S), 6(H~2~O)

Sample Originator: Craig J. Matthewsa and Lisa Davisa.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

Nottingham Trent Universitya
University of Southamptonb

C60H66F18N30O34Pb4S6

InChI=1/2C18H22N10O2.C18H20N10O2.5CHF3O3S.CHF3.CH2F2.FH.HO3S.H2O2S.11H2O.4Pb.2H/c3*19-15(25-27-17(29)11-5-1-3-7-21-11)13-9-14(24-10-23-13)16(20)26-28-18(30)12-6-2-4-8-22-12;5*2-1(3,4)8(5,6)7;2-1(3)4;2-1-3;;1-3-4-2;1-2-3;;;;;;;;;;;;;;;;;/h2*1-10,15-18,25-28H,19-20H2;1-10,15-18,27-28H,19-20H2;5*(H,5,6,7);1H;1H2;1H;1H;1,3H;11*1H2;;;;;;/q2*-2;-4;;;;;;;;;;;;;;;;;;;;;;4*+2;;

Identification Number:10.5258/ecrystals/971
Controlled Keywords:lead compounds, supramolecular assemblies
Date Created:12 June 2003
Deposited On:17 Feb 2010 16:35
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC60 H66 F18 N30 O34 Pb4 S6
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a12.7864(5)
Cell length b17.1825(7)
Cell length c22.7443(8)
Cell angle alpha99.355(2)
Cell angle beta99.419(3)
Cell angle gamma99.681(4)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0399
R Factor (Obs)0.0321
R Factor (All)0.0358
Weighted R Factor (Obs)0.0783
Weighted R Factor (All)0.0802

Citation: Matthews, Craig J. and Davis, Lisa and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/971)
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