(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m614-m615 [ doi:10.1107/S1600536803015290 ]

Tetraaquabis(4,4'-bipyridine)copper(II) 2,6-naphthalenedicarboxylate trihydrate

J. Tao, R.-B. Huang, L.-S. Zheng and S. W. Ng

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.003 Å
R factor = 0.042
wR factor = 0.120
Data-to-parameter ratio = 15.7

checkCIF results

No syntax errors found



ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.30                 
         From the CIF: _reflns_number_total               3768                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3977                           
         Completeness (_total/calc)             94.74%                          
          Alert C: < 95% complete                                               


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check