[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3257-o3258
[ doi:10.1107/S1600536812044492 ]

Tris(5-amino-1H-1,2,4-triazol-4-ium) dihydrogenphosphate hydrogenphosphate trihydrate

M. L. Mrad, M. Zeller, K. J. Hernandez, M. Rzaigui and C. Ben Nasr


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 14 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 14 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 85 Perc.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 32.03 From the CIF: _reflns_number_total 6229 Count of symmetry unique reflns 3504 Completeness (_total/calc) 177.77% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2725 Fraction of Friedel pairs measured 0.778 Are heavy atom types Z>Si present yes PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 18 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 6 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 12 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 32 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 208
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 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 5 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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