[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o730
[ doi:10.1107/S1600536813009823 ]


A.-M.S. Al-Tamimi, A. M. Alafeefy, A. A. El-Emam, S. W. Ng and E. R. T. Tiekink

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.670 From the CIF: _refine_ls_abs_structure_Flack_su 0.140
Author Response: The crystal is a racemic twin with the fractional contribution of the minor component being 0.33 (14). This precluded the determination of the absolute structure.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O1     --  C2      ..        5.5 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C17     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0062 Ang  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      3.430      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          3      
PLAT915_ALERT_3_C Low Friedel Pair Coverage ......................         85 Perc.

Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT033_ALERT_4_G Flack x Value Deviates .gt. 2*sigma from Zero .. 0.670 PLAT791_ALERT_4_G Note: The Model has Chirality at C10 (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 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 3 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 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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