(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m266-m267 [ doi:10.1107/S1600536803008249 ]

(Acetonitrile)(6,6''-dimesityl-2,2':6',2''-terpyridine)copper(I) hexafluorophosphate

A. Onoda, K. Kawakita, T. Okamura, H. Yamamoto and N. Ueyama

Online 23 April 2003

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.012 Å
R factor = 0.052
wR factor = 0.227
Data-to-parameter ratio = 17.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



RINTA_01  Alert B The value of Rint is greater than 0.15                        
          Rint given   0.150                                                    


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.50                 
         From the CIF: _reflns_number_total               7302                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         7890                           
         Completeness (_total/calc)             92.55%                          
          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      0.863                            
          Tmax scaled      0.861 Tmin scaled      0.727                         


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 1 Alert Level C = Please check