(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o1408-o1410 [ doi:10.1107/S1600536802020925 ]

3,4,6-Tris(pyrazol-1-yl)pyridazine

A. J. Blake, P. Hubberstey and A. D. Mackrell

Online 22 November 2002

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.010 Å
R factor = 0.081
wR factor = 0.168
Data-to-parameter ratio = 8.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



THETM_01  Alert A The value of sine(theta_max)/wavelength is less than 0.550    
          Calculated sin(theta_max)/wavelength =    0.5380                      


 Alert Level C:



REFNR_01  Alert C Ratio of reflections to parameters is < 10 for a              
          centrosymmetric structure                                             
          sine(theta)/lambda                0.5380                              
          Proportion of unique data used    1.0000                              
          Ratio reflections to parameters   8.8842                              

RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.117                                                    


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check