[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1279  [ doi:10.1107/S1600536813019363 ]

5-Amino-1H-1,2,4-triazol-4-ium hydrogen oxalate

M. Essid, H. Marouani, S. S. Al-Deyab and M. Rzaigui


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.4 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -2.983 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT975_ALERT_2_C Positive Residual Density at 0.93A from N4 . 0.47 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 ........ 2 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 4 Units PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C2 H5 N4 PLAT950_ALERT_5_G Reported and Calculated Hmax Values Differ by .. 5 PLAT951_ALERT_5_G Reported and Calculated Kmax Values Differ by .. 5
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 4 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 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster