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Acta Cryst. (2011). E67, m687  [ doi:10.1107/S1600536811015571 ]

Aqua(di-2-pyridylamine-[kappa]2N2,N2')(pyridine-2,6-dicarboxylato-[kappa]3O2,N,O6)zinc monohydrate

F. Durkaya, N. Dege, G. Demirtas and I. Uçar

Online 7 May 2011


Key indicators

checkCIF/PLATON results

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Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H5B .. H6A .. 1.98 Ang. PLAT420_ALERT_2_B D-H Without Acceptor O6 - H6A ... ?
Alert level C PLAT245_ALERT_2_C U(iso) H6A Smaller than U(eq) O6 by ... 0.02 AngSq PLAT245_ALERT_2_C U(iso) H6B Smaller than U(eq) O6 by ... 0.02 AngSq PLAT352_ALERT_3_C Short N-H Bond (0.87A) N2 - H5 ... 0.74 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 15 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 4
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 600 Deg. PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct. 11 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Zn1 -- N1 .. 8.00 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Zn1 -- N3 .. 5.25 su PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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