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Acta Cryst. (2013). E69, m290-m291
[ doi:10.1107/S1600536813010908 ]

Bis([mu]-4-formylbenzoato-[kappa]2O:O')bis[(4-formylbenzoato-[kappa]2O,O')bis(isonicotinamide-[kappa]N1)copper(II)]

M. Sertçelik, N. Çaylak Delibas, H. Necefoglu and T. Hökelek


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B RINTA01_ALERT_3_B The value of Rint is greater than 0.18 Rint given 0.189 PLAT020_ALERT_3_B The value of Rint is greater than 0.12 ......... 0.189
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.968 PLAT213_ALERT_2_C Atom O8 has ADP max/min Ratio ..... 3.8 prola PLAT213_ALERT_2_C Atom C17 has ADP max/min Ratio ..... 3.4 oblat PLAT213_ALERT_2_C Atom C24 has ADP max/min Ratio ..... 3.4 oblat PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.4 Ratio PLAT245_ALERT_2_C U(iso) H26 Smaller than U(eq) C26 by ... 0.023 AngSq PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O5B PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0078 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.307 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 21 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Cu1 1.18 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.70A from O4 . -0.61 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 42 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct. 3 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 2 Perc. PLAT794_ALERT_5_G Note: Tentative Bond Valency for Cu1 (II) 2.09 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 119 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 183
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 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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