Acta Cryst. (2011). E67, m775  [ doi:10.1107/S1600536811018411 ]

[-1,2-Bis(4-pyridyl)ethene-²N:N']bis[aqua(pyridine-2,6-dicarboxylato-³O²,N,O⁶)copper(II)] dihydrate

S. F. Lush

Online 20 May 2011

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.007 Å
• R factor = 0.054
• wR factor = 0.126
• Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu1    --  O1      ..       7.00 su   
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.48      
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          7      
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C7     ...       1.53 Ang. 
PLAT415_ALERT_2_C Short Inter D-H..H-X       H1B    ..  H8A     ..       2.13 Ang. 
PLAT417_ALERT_2_C Short Inter D-H..H-D       H6A    ..  H6B     ..       2.10 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.597         14      

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        200 Deg. 
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1     (II)          2.17      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          84 Perc.

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   7 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

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

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