Acta Cryst. (2002). E58, m737-m739  [ doi:10.1107/S1600536802020937 ]

A potential synthon for models of vanadium haloperoxidase: (3,5-dimethylpyrazole)bis[2-hydroxy-2-methylbutanoato(1-)]oxovanadium(IV)

S. L. Raishbrook, P. Turner and R. Codd

Online 22 November 2002

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.005 Å
• R factor = 0.054
• wR factor = 0.144
• Data-to-parameter ratio = 18.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_735  Alert C D-H     Calc     0.87(4), Rep   0.872(19) ....       2.11 su-Ratio
                     O2   -H2O     1.555   1.555


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check

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