[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3450
[ doi:10.1107/S1600536812047058 ]

4,4'-Bipyridine-1,1'-diium bis(1,3-benzothiazole-2-thiolate)

Y.-H. Jiang, Q.-M. Qiu, M. Liu, Q.-H. Jin and C.-L. Zhang


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 47 Perc. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for S1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C2 -C7 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0081 Ang PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -28.375 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -2.959 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.470 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 4
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 14 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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