Acta Cryst. (2002). E58, m609-m610  [ doi:10.1107/S1600536802017798 ]

Bis(di-2-pyridylmethanediol-²N,N')iron(III) nitrate dihydrate

J. Woltz, B. L. Westcott, G. Crundwell, M. Zeller, A. D. Hunter and S. O. Sommerer

Online 5 October 2002

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (C-C) = 0.003 Å
• R factor = 0.042
• wR factor = 0.108
• Data-to-parameter ratio = 14.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.30                 
         From the CIF: _reflns_number_total               5174                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         5777                           
         Completeness (_total/calc)             89.56%                          
          Alert B: < 90% complete (theta max?)                                  

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      0.925                            
          Tmax scaled      0.925 Tmin scaled      0.831                         


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 0 Alert Level C = Please check

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