[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1528
[ doi:10.1107/S1600536812047678 ]

Bis[4-(dimethylamino)pyridinium] bis[4-(dimethylamino)pyridine-[kappa]N1]tetrakis(thiocyanato-[kappa]N)manganate(II)

S. Wöhlert, I. Jess and C. Näther


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for S2 -- C2 .. 7.1 su PLAT230_ALERT_2_B Hirshfeld Test Diff for S3 -- C3 .. 7.3 su PLAT230_ALERT_2_B Hirshfeld Test Diff for S4 -- C4 .. 8.0 su
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- C1 .. 5.9 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N4 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 C2 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C3 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C4 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 8 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 63 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 11
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 ............ 2 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C25 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C45 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 C7 H11 N2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 103
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 10 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 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 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 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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