Acta Cryst. (2011). E67, m637  [ doi:10.1107/S1600536811014772 ]

Tetraaqua(nitrato-²O,O')bis(pyridinium-4-carboxylate-O)europium(III) dinitrate

Z.-G. Zhong, J.-F. Song, J. Li and Z.-H. Meng

Online 29 April 2011

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.015
• wR factor = 0.038
• Data-to-parameter ratio = 10.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT213_ALERT_2_C Atom O4              has ADP max/min Ratio .....       3.40 prola
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Eu1    --  O3      ..       9.40 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Eu1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N2     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.44      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.594          5      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          7      
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites ....          2      
PLAT153_ALERT_1_G The su's on the Cell Axes   are Equal (x 100000)        400 Ang. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          4      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          8      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          97 Perc.

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   6 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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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