(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m336-m338 [ doi:10.1107/S1600536803009784 ]

Tetrasodium tetrahydroxytetrathiacalix[4]arenetetrasulfonate tetradecahydrate

H. Akashi and T. Yamauchi

Online 16 May 2003

Key indicators

Single-crystal X-ray study
T = 93 K
Mean (C-C) = 0.004 Å
R factor = 0.031
wR factor = 0.091
Data-to-parameter ratio = 11.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.48                 
         From the CIF: _reflns_number_total               4678                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         5098                           
         Completeness (_total/calc)             91.76%                          
          Alert C: < 95% complete                                               

PLAT_728  Alert C D-H..A  Calc      144.94, Rep      146.00, Dev.      1.06 Deg.
                     O5   -H4   -O15     1.555   1.555   1.455

General Notes



ABSTY_01  Extra text has been found in the _exptl_absorpt_correction_type       
          field, which should be only a single keyword. A literature            
          citation should be included in the _exptl_absorpt_process_details     
          field.                                                                


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check