Acta Cryst. (2011). E67, m779  [ doi:10.1107/S1600536811018162 ]

Bis(2-methylbenzoato-²O,O')(1,10'-phenanthroline-²N,N')copper(II)

S.-L. Ni, F. Zhou and J.-L. Qi

Online 20 May 2011

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.008 Å
• R factor = 0.045
• wR factor = 0.150
• Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT031_ALERT_4_C Refined Extinction Parameter within Range ......       2.60 Sigma
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu     --  N1      ..       5.50 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1     
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          8      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C28 H22 Cu N2 O4                                                 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          7      

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu      (II)          2.27      

   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
   3 ALERT level G = General information/check it is not something unexpected

   2 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
   2 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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