[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3398
[ doi:10.1107/S1600536812046594 ]

5,12-Dimethylpyrazino[1,2-a:4,5-a']dibenzimidazole-5,12-diium dichloride dihydrate

J. Han, M. Zhao, J. Zhang, L. Ma and G. Fan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT245_ALERT_2_C U(iso) H1C Smaller than U(eq) O1 by ... 0.015 AngSq PLAT707_ALERT_1_C D...A Calc 3.159(2), Rep 3.1558(19), Dev.. 1.60 Sigma O1 -CL1 1.555 1.554 # 25 PLAT707_ALERT_1_C D...A Calc 3.193(2), Rep 3.190(2), Dev.. 1.50 Sigma O1 -CL1 1.555 3.656 # 25 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.597 10
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 60 Perc.
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 4 ALERT level G = General information/check it is not something unexpected 2 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 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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