(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1372-o1374 [ doi:10.1107/S1600536802020305 ]

L-Aspartic acid nitrate-L-aspartic acid (1/1)

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

Online 15 November 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.041
wR factor = 0.118
Data-to-parameter ratio = 7.4

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               1578                  
         Count of symmetry unique reflns         1409                           
         Completeness (_total/calc)            111.99%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       169                           
         Fraction of Friedel pairs measured     0.120                           
         Are heavy atom types Z>Si present           no                         
          ALERT: MoKa measured Friedel data cannot be used to                   
                 determine absolute structure in a light-atom                   
                 study EXCEPT under VERY special conditions.                    
                 It is preferred that Friedel data is merged in such cases.