(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o1027-o1028 [ doi:10.1107/S1600536801016269 ]

N,N'-Bis(salicylidene)-1-4-butanediamine

A. R. Kennedy and J. Reglinski

Key indicators

Single-crystal X-ray study
T = 123 K
Mean (C-C) = 0.004 Å
R factor = 0.063
wR factor = 0.106
Data-to-parameter ratio = 9.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



WEIGH_01  Alert C Extra text has been found in the                              
          _refine_ls_weighting_scheme field. This should be in the              
          _refine_ls_weighting_details field.                                   
          Weighting scheme given as calc w = 1/[\s^2^(Fo^2^)+(0.0434P)^2^+0.154 
          Weighting scheme identified as calc                                   

General Notes



GOODF_01  _refine_ls_goodness_of_fit_obs is an old dataname which has           
          been superseded by _refine_ls_goodness_of_fit_ref                     

REFLE_01  _reflns_observed_criterion is an old dataname which has been          
          superseded by _reflns_threshold_expression                            

REFLG_01  _reflns_number_observed is an old dataname which has been             
          superseded by _reflns_number_gt                                       

RFACG_01  _refine_ls_R_factor_obs is an old dataname which has been             
          superseded by _refine_ls_R_factor_gt                                  

RFACR_01  _refine_ls_wR_factor_obs is an old dataname which has been            
          superseded by _refine_ls_wR_factor_ref                                

SHFSU_01  _refine_ls_shift/esd_max is an old dataname which has been            
          superseded by _refine_ls_shift/su_max                                 


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check