(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m183-m184 [ doi:10.1107/S1600536803004458 ]

Tetrachloro(N,N,N',N'-tetramethylethylenediamine)zirconium(IV)

C. E. F. Rickard, M. W. Glenny and A. J. Nielson

Online 31 March 2003

Key indicators

Single-crystal X-ray study
T = 203 K
Mean (C-C) = 0.005 Å
R factor = 0.018
wR factor = 0.045
Data-to-parameter ratio = 24.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



SHFSU_01  Alert A The absolute value of parameter shift to su ratio > 0.20      
          Absolute value of the parameter shift to su ratio given   0.362       
          Additional refinement cycles may be required.                         


 Alert Level C:



STRVAL_01                                                                       
         From the CIF: _refine_ls_abs_structure_Flack    0.440                  
         From the CIF: _refine_ls_abs_structure_Flack_su    0.040               
           Alert C Flack test results are ambiguous.                            

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.12                 
         From the CIF: _reflns_number_total               3059                  
         Count of symmetry unique reflns         1728                           
         Completeness (_total/calc)            177.03%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1331                           
         Fraction of Friedel pairs measured     0.770                           
         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.          


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check