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

Poly[bis[[mu]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


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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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