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Acta Cryst. (2013). E69, o1097  [ doi:10.1107/S1600536813016048 ]

5-Bromo-4-(3,5-dibromo-2-hydroxyphenyl)-2-(piperidin-1-yl)-1,3-dithiol-2-ylium bromide

P. Chirita, C. G. Hrib and L. M. Birsa


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT434_ALERT_2_B Short Inter HL..HL Contact Br3 .. Br4 . 3.31 Ang.
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.12 Rint given 0.132 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0097 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 10.515 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.581 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT976_ALERT_2_C Negative Residual Density at 0.94A from O . -0.76 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT434_ALERT_2_G Short Inter HL..HL Contact Br2 .. Br4 . 3.54 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 Br
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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