[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2807
[ doi:10.1107/S1600536812036501 ]

Hexakis(propylammonium) benzene-1,2,4,5-tetracarboxylate 2,5-dicarboxybenzene-1,4-carboxylate tetrahydrate

S. Khorasani and M. A. Fernandes


Key indicators

checkCIF/PLATON results

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Datablock: I



Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H1A .. H2WB .. 2.02 Ang. PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT223_ALERT_4_C Large Solvent/Anion H Ueq(max)/Ueq(min) ... 3.4 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O1B -- C4B .. 5.8 su
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 12 PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00020 Ang. PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 7 Perc. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 36
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 2 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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