[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m173-m174
[ doi:10.1107/S1600536813004984 ]


Ö. Dincel, B. Tercan, F. E. Öztürkkan, H. Necefoglu and T. Hökelek

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT213_ALERT_2_B Atom O2 has ADP max/min Ratio ..... 4.7 oblat PLAT250_ALERT_2_B Large U3/U1 Ratio for Average U(i,j) Tensor .... 5.3 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT213_ALERT_2_C Atom Co1 has ADP max/min Ratio ..... 3.6 oblat PLAT213_ALERT_2_C Atom N2 has ADP max/min Ratio ..... 3.4 prola PLAT213_ALERT_2_C Atom C8 has ADP max/min Ratio ..... 3.1 oblat PLAT213_ALERT_2_C Atom C11 has ADP max/min Ratio ..... 3.3 oblat PLAT245_ALERT_2_C U(iso) H22 Smaller than U(eq) N2 by ... 0.011 AngSq PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0084 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 9.294 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.262 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 PLAT976_ALERT_2_C Negative Residual Density at 1.04A from O2 . -0.69 eA-3
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 21 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 7.94 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 34
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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