Acta Cryst. (2010). E66, m123  [ doi:10.1107/S1600536809055408 ]

Poly[bis[₂-8-ethyl-5-oxo-2-(piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylato]nickel(II)]

Z. An and L. Zhu

Online 9 January 2010

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.007 Å
• R factor = 0.066
• wR factor = 0.199
• Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.67 Ratio
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C9     --  C10     ..      13.88 su   
PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of .     122.00 A   3 
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.81 eA-3 
PLAT924_ALERT_1_B The Reported and Calculated Rho(min) Differ by .       2.43 eA-3 
PLAT926_ALERT_1_B Reported and Calculated   R1 * 100.0 Differ by .      -1.83      
PLAT927_ALERT_1_B Reported and Calculated  wR2 * 100.0 Differ by .      -4.91      
PLAT928_ALERT_1_B Reported and Calculated    S value   Differ by .      -0.25      

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.30      
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C9     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.24      
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          7      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.597         93      

Alert level G
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large..       0.12      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      

   0 ALERT level A = In general: serious problem
   8 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   4 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
   6 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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