Acta Cryst. (2012). E68, m1044
[ doi:10.1107/S1600536812030577 ]

[N,N'-Bis(2,3,4-trimethoxybenzylidene)ethane-1,2-diamine-²N,N']dibromidomercury(II)

A. D. Khalaji, M. Dusek and K. Fejfarová

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.016 Å
• R factor = 0.044
• wR factor = 0.125
• Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT113_ALERT_2_A ADDSYM Suggests Possible Pseudo/New Space-group.       C2/c     

Alert level B
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem...          c     

PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers .         12      

Alert level C
PLAT213_ALERT_2_C Atom C1              has ADP max/min Ratio .....        3.3 prola
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N1     --  C1      ..        6.4 su   
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0156 Ang  
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          6      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          5      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00200 Deg. 
PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed ..          !
PLAT931_ALERT_5_G Check Twin Law ( 1-1  0)[       ] Estimated BASF       0.21      
PLAT931_ALERT_5_G Check Twin Law (       )[ 1-1  0] Estimated BASF       0.15      
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ...          1      

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

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

Copyright © International Union of Crystallography
IUCr Webmaster