(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m3477-m3478 [ doi:10.1107/S1600536806049142 ]

2,2'-(Propane-1,3-diyl)bis(benzimidazolium) dichloride dihydrate

B. Hu, X.-T. Deng, C.-G. Wang and X.-Y. Wang

Online 24 November 2006

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
R factor = 0.053
wR factor = 0.134
Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C17 H18 N4                                                       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2      
              H2 O                                                             
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3      
              H2 O                                                             
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4      
              Cl                                                               
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          5      
              Cl                                                               

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

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