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

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

S. Wöhlert, I. Jess and C. Näther

Key indicators

• Single-crystal X-ray study
• T = 180 K
• Mean (C-C) = 0.003 Å
• R factor = 0.044
• wR factor = 0.121
• Data-to-parameter ratio = 20.8

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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