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Acta Cryst. (2013). E69, m314-m315
[ doi:10.1107/S1600536813012178 ]

[Diaquasesqui(nitrato-[kappa]O)hemi(perchlorato-[kappa]O)copper(II)]-[mu]-{bis[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide}-[triaqua(perchlorato-[kappa]O)copper(II)] nitrate monohydrate

M. Seredyuk, V. A. Pavlenko, K. O. Znovjyak, E. Gumienna-Kontecka and T. S. Iskenderov


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H2W1 .. H1N5 .. 2.08 Ang. PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 16
Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Cl1 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.356 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 156 PLAT975_ALERT_2_C Positive Residual Density at 1.08A from O6 . 0.49 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 18 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cu2 -- O15 .. 6.4 su PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for N9 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 10 % PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 14 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.21 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 811
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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