Acta Cryst. (2007). E63, o3047  [ doi:10.1107/S1600536807025019 ]

Hexane-1,6-diyldipyridinium dibromide

R.-J. Ni, Y. Huang and C. Yao

Online 31 May 2007

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.006 Å
• R factor = 0.035
• wR factor = 0.082
• Data-to-parameter ratio = 18.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)       3000 Deg. 
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.03      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C16 H22 N2                                                       

Alert level G
PLAT804_ALERT_5_G ARU-Pack Problem in PLATON Analysis ............          1 Times

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster