[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1199-m1200
[ doi:10.1107/S1600536812035544 ]

Triaqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-[kappa]2N3,O4)]calcium(II) tetrahydrate

L.-Z. Du and X. Li


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........ O7 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 5.641 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 30
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 21 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 14 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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