Acta Cryst. (2012). E68, m906
[ doi:10.1107/S1600536812025676 ]

Di--adipato-⁴O¹:O⁶-bis{aqua[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine-²N²,N³]copper(II)}

W. Xu and J.-L. Qi

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.006 Å
• R factor = 0.057
• wR factor = 0.135
• Data-to-parameter ratio = 15.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.974      
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C26     
PLAT314_ALERT_2_C Check Small Angle for H2O: Metal-O5     -H5A          89.84 Deg. 
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0061 Ang  
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          8      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         34      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        103      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          3      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.03000 Deg. 
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1     (II)          2.27      
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
   7 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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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