(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m220-m222 [ doi:10.1107/S1600536802007080 ]

(2-Carbomethoxyethyl)triiodotin at 120 K

R. A. Howie and S. M. S. V. Wardell

Online 25 April 2002

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.016 Å
R factor = 0.060
wR factor = 0.168
Data-to-parameter ratio = 27.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



ABSTM_02  Alert C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10     
          Tmin and Tmax reported:      0.269     0.505                          
          Tmin and Tmax expected:      0.203     0.453                          
          RR =      1.189                                                       
          Please check that your absorption correction is appropriate.          

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.50                 
         From the CIF: _reflns_number_total               5138                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         5464                           
         Completeness (_total/calc)             94.03%                          
          Alert C: < 95% complete                                               

RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.107                                                    

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     27
                   I1B -SN1B-O1B -C3B    76.00  5.00   1.555   1.555   1.555   1.555

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      0.897                            
          Tmax scaled      0.453 Tmin scaled      0.241                         


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 4 Alert Level C = Please check