(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, m438-m440 [ doi:10.1107/S1600536801014751 ]

ansa-Calcocenes: rac-[bis(3,3'-biacenaphthylenido)]bis(tetrahydrofuran)calcium

P.-J. Sinnema, B. Twamley and P. J. Shapiro

Online 20 September 2001

Key indicators

Single-crystal X-ray study
T = 203 K
Mean (C-C) = 0.008 Å
R factor = 0.054
wR factor = 0.128
Data-to-parameter ratio = 13.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



ABSMU_01  Alert C The ratio of given/expected absorption coefficient lies       
          outside the range 0.99 <> 1.01                                        
          Calculated value of mu =     0.284                                    
          Value of mu given      =     0.280                                    

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.00                 
         From the CIF: _reflns_number_total               8481                  
         Count of symmetry unique reflns         4410                           
         Completeness (_total/calc)            192.31%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      4071                           
         Fraction of Friedel pairs measured     0.923                           
         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