[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o258
[ doi:10.1107/S1600536813000858 ]


A. Jashari, E. Popovski, B. Mikhova, R. P. Nikolova and B. L. Shivachev

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B Crystal system given = monoclinic PLAT149_ALERT_3_B su on the beta Angle is Too Large .......... 0.08 Deg.
Author Response: This is probably another symptom of the problems associated with the observed twinning .
PLAT911_ALERT_3_B Missing # FCF Refl Between THmin & STh/L=  0.600        553      
Author Response: The nature of the twinning in this structure meant that a large number of reflections were rejected at the data reduction stage. After several attempts to eke out more usable reflections by tweaking parameters of the integration and of the scaling and merging, the present dataset was the best that we could manage. We believe that the structure solution and refinement are unambiguous, and that the model is of a reasonable quality.

Alert level C PLAT148_ALERT_3_C su on the a - Axis is (Too) Large ........ 0.014 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0047 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H2 .. O9 .. 2.70 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 10.401 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.657 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 658
Author Response: Same as for response to _vrf_PLAT911 above.

0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 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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