[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1156-m1157
[ doi:10.1107/S1600536812034216 ]

Bis(2,2'-bipyridine-[kappa]2N,N')(3-methylbenzoato-[kappa]2O,O')zinc 3-methylbenzoate-3-methylbenzoic acid-water (1/1/2)

Q. Ye, J. Qi and J. Lin


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Zn1 -- O1 .. 10.6 su PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 11
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 -- C21 .. 5.5 su PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0065 Ang PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 8
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 5 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00300 Ang. PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Zn1 -- O2 .. 5.5 su PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C28 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C36 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C44 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 70
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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