Acta Cryst. (2006). E62, o1003-o1005  [ doi:10.1107/S1600536806004387 ]

[2-(3-Fluoropyridinium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate

R. Cao, M. P. Hudock, Y. Zhang, S. R. Wilson and E. Oldfield

Online 15 February 2006

Key indicators

• Single-crystal X-ray study
• T = 193 K
• Mean (C-C) = 0.003 Å
• R factor = 0.032
• wR factor = 0.088
• Data-to-parameter ratio = 18.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.46 Ratio 

   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

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