(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o632-o634 [ doi:10.1107/S1600536803007773 ]

A second polymorph of 3,5-dibromopyridinium bromide

P. G. Jones and V. Lozano

Online 16 April 2003

Key indicators

Single-crystal X-ray study
T = 133 K
Mean (C-C) = 0.004 Å
R factor = 0.020
wR factor = 0.052
Data-to-parameter ratio = 22.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



ABSTM_02  Alert C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10     
          Tmin and Tmax reported:      0.253     0.462                          
          Tmin and Tmax expected:      0.117     0.312                          
          RR =      1.461                                                       
          Please check that your absorption correction is appropriate.          

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      0.676                            
          Tmax scaled      0.312 Tmin scaled      0.171                         


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check