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Acta Cryst. (2012). E68, m1349-m1350
[ doi:10.1107/S1600536812041645 ]

Poly[aqua([mu]2-pyrimidine-2-carboxylato-[kappa]4O,N:O',N')(nitrato-[kappa]O)cadmium]

O. In-noi, K. Chainok and D. J. Harding


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.39 PLAT213_ALERT_2_C Atom O6B has ADP max/min Ratio ..... 3.3 prola PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.3 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.653 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 5 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 9 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 5 PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum .... ? PLAT195_ALERT_1_G Missing _cell_measurement_theta_max datum .... ? PLAT196_ALERT_1_G Missing _cell_measurement_theta_min datum .... ? PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 -- O1 .. 5.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 -- O3 .. 6.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd1 -- O4 .. 7.3 su PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 13 Perc. PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.14 Ratio PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 44 O5A -N3 -O5B 1.555 1.555 1.555 23.40 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 47 O6B -N3 -O6A 1.555 1.555 1.555 18.70 Deg. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 56 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 220
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 17 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 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 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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