Acta Cryst. (2003). E59, m17-m19  [ doi:10.1107/S1600536802022249 ]

Aquadichloro(2,9-dimethyl-1,10-phenanthroline-²N,N')copper(II)

P. Lemoine, B. Viossat and J.-C. Daran

Online 19 December 2002

Key indicators

• Single-crystal X-ray study
• T = 180 K
• Mean (C-C) = 0.004 Å
• R factor = 0.017
• wR factor = 0.046
• Data-to-parameter ratio = 11.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



STRVAL_01                                                                       
         From the CIF: _refine_ls_abs_structure_Flack    0.538                  
         From the CIF: _refine_ls_abs_structure_Flack_su    0.008               
           Alert C Flack test results are ambiguous.                            

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      1.210                            
          Tmax scaled      0.688 Tmin scaled      0.618                         

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.07                 
         From the CIF: _reflns_number_total               2499                  
         Count of symmetry unique reflns         1548                           
         Completeness (_total/calc)            161.43%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       951                           
         Fraction of Friedel pairs measured     0.614                           
         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.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check

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