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 |
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| Controlled Keywords: | lead compounds, supramolecular assemblies |
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| Date Created: | 12 June 2003 |
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| Deposited On: | 17 Feb 2010 16:35 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C60 H66 F18 N30 O34 Pb4 S6 |
| Crystal morphology | |
| Crystal system | Triclinic |
| Space group symbol | P-1 |
| Cell length a | 12.7864(5) |
| Cell length b | 17.1825(7) |
| Cell length c | 22.7443(8) |
| Cell angle alpha | 99.355(2) |
| Cell angle beta | 99.419(3) |
| Cell angle gamma | 99.681(4) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0399 |
| 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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