(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m72-m73 [ doi:10.1107/S1600536802001630 ]

Chlorotripyridinecopper(I)

S. Scholz, H.-W. Lerner and M. Bolte

Online 31 January 2002

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.012 Å
R factor = 0.048
wR factor = 0.075
Data-to-parameter ratio = 14.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.24                 
         From the CIF: _reflns_number_total               1518                  
         Count of symmetry unique reflns          825                           
         Completeness (_total/calc)            184.00%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       693                           
         Fraction of Friedel pairs measured     0.840                           
         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.