(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m429-m431 [ doi:10.1107/S1600536802012497 ]

Dichloro{2,2'-thiobis[(4S)-4-isopropyl-1,3-oxazolinylphenyl]}zinc(II)

H. Kooijman, A. L. Spek, C. Zondervan and B. L. Feringa

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.004 Å
R factor = 0.028
wR factor = 0.063
Data-to-parameter ratio = 19.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



ABSTM_02  Alert C The ratio of Tmax/Tmin expected RT(exp) is > 1.10             
          Absorption corrections should be applied.                             
          Tmin and Tmax expected:      0.526     0.605                          
          RT(exp) =      1.150                                                  

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.48                 
         From the CIF: _reflns_number_total               5650                  
         Count of symmetry unique reflns         3191                           
         Completeness (_total/calc)            177.06%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      2459                           
         Fraction of Friedel pairs measured     0.771                           
         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