(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, m96-m98 [ doi:10.1107/S1600536802002118 ]

Dichloro[2-chloro-6-(mercaptopyridin-2-yl)pyridine]copper(II)

A. J. Blake, M. W. George, P. Hubberstey, R. L. Garcia and C. Wilson

Online 22 February 2002

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.003 Å
R factor = 0.029
wR factor = 0.071
Data-to-parameter ratio = 19.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.21                 
         From the CIF: _reflns_number_total               3191                  
         From the CIF: _diffrn_reflns_limit_ max hkl   17.   12.   26.          
         From the CIF: _diffrn_reflns_limit_ min hkl  -16.  -12.  -25.          
         TEST1: Expected hkl limits for theta max                               
         Calculated maximum hkl   17.   12.   28.                               
         Calculated minimum hkl  -17.  -12.  -28.                               
          ALERT: Expected hkl max differ from CIF values