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Acta Cryst. (2012). E68, m31-m32  [ doi:10.1107/S1600536811052445 ]

2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carboxy-4-hydroxypyridine-2-carboxylato-[kappa]3O2,N,O6)(4-hydroxypyridine-2,6-dicarboxylato-[kappa]3O2,N,O6)zincate(II) 2.35-hydrate: a proton-transfer compound

Z. Derikvand, H. Stoeckli-Evans and A. Nemati

Online 10 December 2011

Key indicators

checkCIF/PLATON results

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Alert level B PLAT415_ALERT_2_B Short Inter D-H..H-X H2 .. H3WB .. 2.09 Ang. PLAT417_ALERT_2_B Short Inter D-H..H-D H2WB .. H3WB .. 2.09 Ang.
Alert level C PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ? PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C12 - C14 ... 1.53 Ang. PLAT417_ALERT_2_C Short Inter D-H..H-D H2WA .. H5 .. 2.10 Ang. PLAT417_ALERT_2_C Short Inter D-H..H-D H2WB .. H3WA .. 2.10 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 42
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 CIF .... ? PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 15 Perc. PLAT432_ALERT_2_G Short Inter X...Y Contact O5 .. C6 .. 2.88 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12
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 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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