(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m121-m122 [ doi:10.1107/S1600536802002088 ]

Tetrakis(-benzoato)bis[(N,N-diethylnicotinamide)zinc(II)]

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

Online 22 February 2002

Key indicators

Single-crystal X-ray study
T = 160 K
Mean (C-C) = 0.003 Å
R factor = 0.027
wR factor = 0.072
Data-to-parameter ratio = 13.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.70                 
         From the CIF: _reflns_number_total               3940                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         4306                           
         Completeness (_total/calc)             91.50%                          
          Alert C: < 95% complete                                               

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.70                 
         From the CIF: _reflns_number_total               3940                  
         From the CIF: _diffrn_reflns_limit_ max hkl   20.   12.   24.          
         From the CIF: _diffrn_reflns_limit_ min hkl  -23.  -12.  -22.          
         TEST1: Expected hkl limits for theta max                               
         Calculated maximum hkl   23.   13.   26.                               
         Calculated minimum hkl  -23.  -13.  -26.                               
          ALERT: Expected hkl max differ from CIF values                        


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check