(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m230-m231 [ doi:10.1107/S1600536803007360 ]

Triaqua(1,10-phenanthroline)sulfatocadmium(II)

X. Li, R. Cao, W. Bi, D. Sun and M. Hong

Online 9 April 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.015 Å
R factor = 0.043
wR factor = 0.109
Data-to-parameter ratio = 11.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



PLAT_726  Alert A H...A   Calc     1.92768, Rep     1.97000, Dev.      0.04 Ang.
                     H7A  -O3      1.555   1.455


 Alert Level B:



ABSTM_02  Alert B The ratio of expected to reported Tmax/Tmin(RR') is < 0.75    
          Tmin and Tmax reported:      0.416     0.939                          
          Tmin' and Tmax expected:      0.563     0.939                         
          RR' =      0.739                                                      
          Please check that your absorption correction is appropriate.          

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.05                 
         From the CIF: _reflns_number_total               2500                  
         Count of symmetry unique reflns         1604                           
         Completeness (_total/calc)            155.86%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       896                           
         Fraction of Friedel pairs measured     0.559                           
         Are heavy atom types Z>Si present          yes                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.          


 1 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 0 Alert Level C = Please check