[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2700-o2701
[ doi:10.1107/S1600536812034691 ]

5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole

B. Liu, J. P. C. Tomé, L. Cunha-Silva and F. A. Almeida Paz


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 44 Perc. PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 3.0 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.9 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 12.186 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 3 PLAT975_ALERT_2_C Positive Residual Density at 0.91A from N1 . 0.52 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 1.03A from N4 . 0.45 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 10 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.12 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 8 PLAT908_ALERT_2_G Max. Perc. Data with I .gt. 2*s(I) per Res.Shell 73.76 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 8 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 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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