Acta Cryst. (2010). E66, o1075-o1076  [ doi:10.1107/S1600536810010470 ]

4-Amino-3,5-bis(2-pyridyl)-4H-1,2,4-triazole-benzene-1,2,3-tricarboxylic acid-water (1/1/2)

X.-J. Jiang

Online 14 April 2010

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.003 Å
• R factor = 0.037
• wR factor = 0.105
• Data-to-parameter ratio = 11.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         33      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 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
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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