Acta Cryst. (2011). E67, m410  [ doi:10.1107/S1600536811007562 ]

1-(2,5-Dimethylphenyl)piperazine-1,4-diium tetrachloridozincate monohydrate

R. Kefi, F. Lefebvre, M. Zeller and C. Ben Nasr

Online 9 March 2011

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.027
• wR factor = 0.064
• Data-to-parameter ratio = 25.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT414_ALERT_2_C Short Intra D-H..H-X       H1A    ..  H8A     ..       1.95 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2B    ..  CL1     ..       2.85 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          8      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        455      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          5      
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Zn1     (II)          1.97      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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