(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o619-o621 [ doi:10.1107/S1600536803007268 ]

Tribromoacetic acid

P. G. Jones and V. Lozano

Online 16 April 2003

Key indicators

Single-crystal X-ray study
T = 133 K
Mean (C-C) = 0.003 Å
R factor = 0.022
wR factor = 0.053
Data-to-parameter ratio = 26.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



ABSTM_02  Alert A The ratio of expected to reported Tmax/Tmin(RR) is > 2.00     
          Tmin and Tmax reported:      0.268     0.564                          
          Tmin and Tmax expected:      0.070     0.463                          
          RR =      3.153                                                       
          Please check that your absorption correction is appropriate.

Author response: The redundancy of 3.6 was not as high as would be wished for effective use of SADABS, but was unfortunately limited by the longer exposure times for a very small crystal. Nevertheless, the reduction of R(int) from 0.151 to 0.034, and the low residual electron density, would usually be considered as signs of a successful correction.

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      0.821                            
          Tmax scaled      0.463 Tmin scaled      0.220                         


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 0 Alert Level C = Please check