Acta Cryst. (2006). E62, o1550-o1552  [ doi:10.1107/S1600536806009342 ]

1,4,10,13-Tetraoxa-7,16-diazoniacyclooctadecane bis(hexafluorophosphate): PF₆^- acting as a pseudohalide

D. E. Janzen, M. E. Botros, G. P. Helton, D. G. VanDerveer and G. J. Grant

Online 25 March 2006

Key indicators

• Single-crystal X-ray study
• T = 183 K
• Mean (C-C) = 0.004 Å
• R factor = 0.051
• wR factor = 0.130
• Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P1     

   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
   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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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