[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o710
[ doi:10.1107/S1600536813009471 ]


T. Mohandas, R. Sathishkumar, J. Jayabharathi, A. Pasupathy and P. Sakthivel

Key indicators

checkCIF/PLATON results

No syntax errors found

Datablock: I

Alert level B PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ... 4.316 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C29 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 4
Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 0.715 Test value = 0.675 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 0.71 eA-3 PLAT213_ALERT_2_C Atom F2 has ADP max/min Ratio ..... 3.2 prola PLAT230_ALERT_2_C Hirshfeld Test Diff for F3 -- C29 .. 6.6 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C17 -- C18 .. 5.8 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C18 -- C28 .. 5.2 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.452 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 19
Alert level G PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.13 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C1 -C14 1.42 Ang. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 36
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 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 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 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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