Acta Cryst. (2012). E68, m9  [ doi:10.1107/S1600536811051282 ]

Tetrakis(1-allyl-1H-imidazole-N³)bis(thiocyanato-N)manganese(II)

J. Zhao and Y.-L. Jin

Online 3 December 2011

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.009 Å
• R factor = 0.059
• wR factor = 0.162
• Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT234_ALERT_4_C Large Hirshfeld Difference C1     --  C2      ..       0.16 Ang. 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C13     
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0092 Ang  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H6A    ..  N4      ..       2.88 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5B    ..  N4      ..       2.82 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12A   ..  N5      ..       2.72 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          2      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          2      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   8 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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