C~58~H~50~Mn~3~N~26~, 4(ClO~4~)

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/1064
Controlled Keywords:structures of transition-metal organic compounds
Date Created:01 March 2005
Deposited On:28 Mar 2012 12:53
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed. One of the perchlorate anions was disordered over two sites. There was some highly disordered solvent for which it was not possible to model and thus was removed using the SQUEEZE program.

Data collection parameters

Chemical formulaC58 H50 Cl4 Mn3 N26 O16
Crystal morphology
Crystal systemtetragonal
Space group symbolP4(2)/mbc
Cell length a22.060(3)
Cell length b22.060(3)
Cell length c19.537(3)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0760
R Factor (Obs)0.0871
R Factor (All)0.1472
Weighted R Factor (Obs)0.2465
Weighted R Factor (All)0.2819

Citation: Matthews, Craig J. and Horton, Peter N. and Hursthouse, Michael B. (2005) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1064)
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