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Acta Cryst. (2012). E68, o17  [ doi:10.1107/S1600536811050781 ]

1-Hexyl-1,3,6,8-tetraazatricyclo[,8]undecan-1-ium iodide

A. Rivera, J. Sadat-Bernal, J. Ríos-Motta, K. Fejfarová and M. Dusek

Online 3 December 2011

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level A PLAT902_ALERT_1_A No (Interpretable) Reflections found in FCF .... !
Author Response: The data set was HKLF5

Alert level B PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ... 1.652
Author Response: The compound was a twin with data of HKLF5 format
 HKLF5 format has been introduced by SHELX several years ago but Platon cannot
 interpret it. Jana adds to fcf file its own flag about twin domains. If the
 explanation that the file is hklf5 would not be sufficient for the coeditor I
 would ask the coeditor (who is it?) directly what is the recommendation for
 publishing hklf5 data sets.

Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 12 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 6
1 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 0 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 2 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 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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