C~58~H~50~N~26~Zn~3~, 6(ClO~4~), 6(H~2~O)

Sample Originator: Craig J. Matthewsa.

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

Structure Determination: Peter N. Hortonb.

Nottingham Trent Universitya
University of Southamptonb



Identification Number:10.5258/ecrystals/1063
Controlled Keywords:structures of transition-metal organic compounds
Date Created:27 May 2004
Deposited On:28 Mar 2012 12:55
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. There was disorder in most of the solvent water and perchlorate anions. It was not possible to locate the hydrogen atoms on the water molecules, but they have been included in the formula, to allow an accurate density calculation to occur.

Data collection parameters

Chemical formulaC58 H62 Cl6 N26 O30 Zn3
Crystal morphologySlab
Crystal systemmonoclinic
Space group symbolC2/c
Cell length a23.507(5)
Cell length b18.121(4)
Cell length c21.007(4)
Cell angle alpha90.00
Cell angle beta118.687(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.2469
R Factor (Obs)0.1245
R Factor (All)0.1705
Weighted R Factor (Obs)0.2745
Weighted R Factor (All)0.2976

Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1063)
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