(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o574-o576 [ doi:10.1107/S1600536803006457 ]

(m-Carboxyphenyl)ammonium perchlorate at 223 K

L. Bendjeddou, A. Cherouana, F. Berrah and N. Benali-Cherif

Online 31 March 2003

Key indicators

Single-crystal X-ray study
T = 223 K
Mean (C-C) = 0.003 Å
R factor = 0.036
wR factor = 0.140
Data-to-parameter ratio = 11.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.35                 
         From the CIF: _reflns_number_total               1629                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         1870                           
         Completeness (_total/calc)             87.11%                          
          Alert B: < 90% complete (theta max?)                                  

General Notes



FORMU_01  There is a discrepancy between the atom counts in the                 
          _chemical_formula_sum and _chemical_formula_moiety. This is           
          usually due to the moiety formula being in the wrong format.          
          Atom count from _chemical_formula_sum:   C7 H8 Cl1 N1 O6              
          Atom count from _chemical_formula_moiety:C7 H8 Cl1 N1 O4              


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 0 Alert Level C = Please check