Acta Cryst. (2006). E62, o4462-o4463  [ doi:10.1107/S160053680603039X ]

Pyridinium 5-carboxypyrazine-2-carboxylate

X.-Z. Guo, S.-M. Hao and B.-L. Zhang

Online 15 September 2006

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.003 Å
• R factor = 0.036
• wR factor = 0.109
• Data-to-parameter ratio = 11.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       3.15      

   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

   1 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
   0 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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