(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, m381-m383 [ doi:10.1107/S1600536803010985 ]

Bis[(S)--phenethylammonium] tribromoplumbate(II)

D. G. Billing and A. Lemmerer

Online 31 May 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.010 Å
R factor = 0.033
wR factor = 0.065
Data-to-parameter ratio = 27.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_732  Alert C Angle   Calc    85.25(2), Rep    85.25(5) ....       2.50 su-Ratio
                     BR2  -PB1  -BR3     1.555   1.555   1.555

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.28                 
         From the CIF: _reflns_number_total               3268                  
         Count of symmetry unique reflns         1914                           
         Completeness (_total/calc)            170.74%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1354                           
         Fraction of Friedel pairs measured     0.707                           
         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.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check