(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o765-o766 [ doi:10.1107/S1600536803009255 ]

Dicyclohexylammonium benzenethiolate

K. Baranowska, J. Chojnacki, B. Becker and W. Wojnowski

Online 9 May 2003

Key indicators

Single-crystal X-ray study
T = 200 K
Mean (C-C) = 0.008 Å
R factor = 0.039
wR factor = 0.144
Data-to-parameter ratio = 9.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



PLAT_353  Alert B Long    N-H Bond (0.87A)   N(2)   -   H(2A)  =       1.12 Ang.

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           26.42                 
         From the CIF: _reflns_number_total               3593                  
         Count of symmetry unique reflns         3711                           
         Completeness (_total/calc)             96.82%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 0 Alert Level C = Please check