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Acta Cryst. (2012). E68, m1497-m1498
[ doi:10.1107/S1600536812046508 ]

Dipyridinium diaquabis(pyrazole-3,5-dicarboxylato-[kappa]2N,O)cuprate(II) dihydrate

Y. Si


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.976 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.2 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0094 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 10.843 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.670 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.594 52
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 6.77 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 273 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 273 K PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.14 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 77 Perc.
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 10 ALERT level G = General information/check it is not something unexpected 3 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 7 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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