(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m307-m309 [ doi:10.1107/S160053680200805X ]

catena-Poly[[cadmium(II)]---alanine-di--chloro]

M. Subha Nandhini, R. V. Krishnakumar, K. Sivakumar and S. Natarajan

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.010 Å
R factor = 0.032
wR factor = 0.081
Data-to-parameter ratio = 8.1

checkCIF results

No syntax errors found


 Alert Level B:



PLAT_111  Alert B ADDSYM detects (pseudo) centre of symmetry ...         88 Perc Fit

PLAT_113  Alert B ADDSYM suggests Pseudo/New Spacegroup ........       Pnma

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.00                 
         From the CIF: _reflns_number_total                673                  
         Count of symmetry unique reflns          682                           
         Completeness (_total/calc)             98.68%                          
         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          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 2 Alert Level B = Potential problem

 0 Alert Level C = Please check