Acta Cryst. (2011). E67, o1923  [ doi:10.1107/S1600536811025694 ]

Bis(4-pyridyl) disulfide-2,2'-[(p-phenylenebis(oxy)]diacetic acid (1/1)

G.-Y. Wang

Online 6 July 2011

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.003 Å
• R factor = 0.043
• wR factor = 0.114
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.10      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.594          5      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          66 Perc.
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......          !

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 ALERT level G = General information/check it is not something unexpected

   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
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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