[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3457
[ doi:10.1107/S1600536812047861 ]

Adipic acid-2,6-bis(1H-benzimidazol-2-yl)pyridine-water (1/2/4)

S. Lin, R. Jia, F. Gao and X. Zhou


Key indicators

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.056 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 7 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 7 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 4 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 7 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 30
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 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 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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