[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1500-m1501
[ doi:10.1107/S160053681204634X ]

A salen-type trinuclear Zn2Gd complex

Y.-M. Tian, H.-F. Li, B.-L. Han, Q. Zhang and W.-B. Sun


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT412_ALERT_2_B Short Intra XH3 .. XHn H33A .. H44A .. 1.79 Ang. PLAT412_ALERT_2_B Short Intra XH3 .. XHn H37A .. H52A .. 1.75 Ang. PLAT412_ALERT_2_B Short Intra XH3 .. XHn H43A .. H53A .. 1.76 Ang. PLAT417_ALERT_2_B Short Inter D-H..H-D H131 .. H141 .. 1.85 Ang. PLAT420_ALERT_2_B D-H Without Acceptor O14 - H141 ... ? PLAT420_ALERT_2_B D-H Without Acceptor O14 - H142 ... ? PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT234_ALERT_4_C Large Hirshfeld Difference C27 -- C45 .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C68 -- C69 .. 0.19 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C50 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C56 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C68 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C35 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P1 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0116 Ang PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.487 PLAT975_ALERT_2_C Positive Residual Density at 0.95A from O14 . 0.53 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 1.01A from O14 . 0.49 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.59A from O13 . 0.48 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 2 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 3 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C39 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C49 PLAT793_ALERT_4_G The Model has Chirality at C27 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C45 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C47 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C48 (Verify) .... R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 19 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 50
0 ALERT level A = Most likely a serious problem - resolve or explain 7 ALERT level B = A potentially serious problem, consider carefully 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 15 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 11 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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