(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o822-o824 [ doi:10.1107/S1600536802011625 ]

L-Histidinium dinitrate

N. Benali-Cherif, L. Benguedouar, A. Cherouana, L. Bendjeddou and H. Merazig

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.036
wR factor = 0.090
Data-to-parameter ratio = 7.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.35                 
         From the CIF: _reflns_number_total               1286                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         1411                           
         Completeness (_total/calc)             91.14%                          
          Alert C: < 95% complete                                               

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.35                 
         From the CIF: _reflns_number_total               1286                  
         Count of symmetry unique reflns         1411                           
         Completeness (_total/calc)             91.14%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present           no                         
          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