(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o581-o583 [ doi:10.1107/S1600536801008960 ]

Bis(L-threoninium) sulfate monohydrate

B. Sridhar, N. Srinivasan and R. K. Rajaram

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.032
wR factor = 0.094
Data-to-parameter ratio = 8.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           24.97                 
         From the CIF: _reflns_number_total               1732                  
         Count of symmetry unique reflns         1468                           
         Completeness (_total/calc)            117.98%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       264                           
         Fraction of Friedel pairs measured     0.180                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure