[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o596
[ doi:10.1107/S1600536813007216 ]

Bis(4-sulfamoylanilinium) sulfate

B. Ravikumar, S. Pandiarajan and S. Athimoolam


Key indicators

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for S2
Alert level C PLAT213_ALERT_2_C Atom O22 has ADP max/min Ratio ..... 3.3 prola PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 5 PLAT976_ALERT_2_C Negative Residual Density at 1.09A from O22 . -0.48 eA-3
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C12 H18 N4 O8 S3 Atom count from _chemical_formula_moiety: PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 3 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? 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 ....... 2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 9
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 3 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 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster