Acta Cryst. (2003). E59, m396-m398  [ doi:10.1107/S1600536803011486 ]

A new polymorph of fac-tris(4,6-dimethylpyrimidine-2-thiolato-²N,S)cobalt(III) monohydrate

R. A. Burrow, E. Schulz Lang, R. M. Fernandes Jr and E. M. Vázquez-López

Online 10 June 2003

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.011 Å
• R factor = 0.061
• wR factor = 0.139
• Data-to-parameter ratio = 19.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.103                                                    

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.08                 
         From the CIF: _reflns_number_total               5124                  
         Count of symmetry unique reflns         2844                           
         Completeness (_total/calc)            180.17%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2280                           
         Fraction of Friedel pairs measured     0.802                           
         Are heavy atom types Z>Si present          yes                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check

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