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Acta Cryst. (2012). E68, o131  [ doi:10.1107/S1600536811053062 ]

1H-1,2,4-Triazol-4-ium (3,4-dichlorophenyl)methanesulfonate

L. Zhang, G. L. V. Damu, J.-S. Lv, R.-X. Geng and C.-H. Zhou

Online 14 December 2011


Key indicators

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Alert level C PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C6 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C4 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C5 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0046 Ang PLAT350_ALERT_3_C Short C-H Bond (0.96A) C8 - H3M ... 0.84 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 7
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 84 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 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 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 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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