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[Contents scheme]

Acta Cryst. (2013). E69, m191-m192
[ doi:10.1107/S1600536813006168 ]

Diaquabis(2-hydroxybenzoato-[kappa]O1)bis(nicotinamide-[kappa]N1)cadmium-diaquabis(2-hydroxybenzoato-[kappa]2O1,O1')(nicotinamide-[kappa]N)cadmium-water (1/2/4)

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


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ... 2 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 4
Alert level C PLAT314_ALERT_2_C Check Small Angle for H2O: Metal-O5 -H52 94.62 Deg. PLAT420_ALERT_2_C D-H Without Acceptor N4 - H4A ... ? PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 14 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 PLAT975_ALERT_2_C Positive Residual Density at 0.87A from O15 . 0.69 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 9 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 7 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd2 -- O6 .. 26.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Cd2 -- O10 .. 14.2 su PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 50 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 40
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 8 ALERT level G = General information/check it is not something unexpected 0 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 2 ALERT type 5 Informative message, check

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