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

[Contents scheme]

Acta Cryst. (2013). E69, o1136  [ doi:10.1107/S1600536813016887 ]


Y.-J. Gao, Y.-H. Wang and J.-L. Ye

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B Crystal system given = monoclinic PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 3
Alert level C CHEMW01_ALERT_1_C The difference between the given and expected weight for compound is greater 1 mass unit. Check that all hydrogen atoms have been taken into account. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.964 PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? Check PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 5 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 53 % PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 13.19
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT093_ALERT_1_G No su's on H-positions, refinement reported as . mixed PLAT791_ALERT_4_G Note: The Model has Chirality at C7 (Verify) S PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 42
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 8 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 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster