(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o825-o827 [ doi:10.1107/S1600536802011728 ]

4,4'-Bipyridin-1-ium bromide monohydrate

P. A. Iyere, W. Y. Boadi, R. S. Brooks, D. Atwood and S. Parkin

Key indicators

Single-crystal X-ray study
T = 90 K
Mean (C-C) = 0.004 Å
R factor = 0.025
wR factor = 0.052
Data-to-parameter ratio = 16.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.46                 
         From the CIF: _reflns_number_total               2315                  
         Count of symmetry unique reflns         1391                           
         Completeness (_total/calc)            166.43%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       924                           
         Fraction of Friedel pairs measured     0.664                           
         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.