(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, m472-m474 [ doi:10.1107/S1600536801015082 ]

Diaquabis(4-nitrobenzoato)zinc(II): a redetermination

H. Necefoglu, W. Clegg and A. J. Scott

Online 29 September 2001

Key indicators

Single-crystal X-ray study
T = 160 K
Mean (C-C) = 0.004 Å
R factor = 0.028
wR factor = 0.074
Data-to-parameter ratio = 9.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.35                 
         From the CIF: _reflns_number_total               1278                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         1414                           
         Completeness (_total/calc)             90.38%                          
          Alert C: < 95% complete                                               

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      1.077                            
          Tmax scaled      0.672 Tmin scaled      0.579                         


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check