Acta Cryst. (2011). E67, m1072  [ doi:10.1107/S1600536811025335 ]

Tetraaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-N¹]manganese(II) decahydrate

Y.-A. Piao and Z.-Y. Xuan

Online 9 July 2011

Key indicators

• Single-crystal X-ray study
• T = 76 K
• Mean (C-C) = 0.002 Å
• R factor = 0.029
• wR factor = 0.073
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          4      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         22      
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          4      
              H2 O                                                             
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          5      
              H2 O                                                             
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          6      
              H2 O                                                             
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         14      

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

   0 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
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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