[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1113  [ doi:10.1107/S1600536813016346 ]


Chandra, G. M. Raghavendra, S. Jeyaseelan, K. Mantelingu and M. Mahendra

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C STRVA01_ALERT_2_C Chirality of atom sites is inverted? From the CIF: _refine_ls_abs_structure_Flack 1.000 From the CIF: _refine_ls_abs_structure_Flack_su 1.100 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C9
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT032_ALERT_4_G Std. Uncertainty on Flack Parameter Value High . 1.100 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 273 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 273 K PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 74 PLAT916_ALERT_2_G Hooft y and Flack x Parameter values differ by . 0.20
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 2 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 0 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

Copyright © International Union of Crystallography
IUCr Webmaster