[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o620
[ doi:10.1107/S1600536813007976 ]

3,4',5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate

H.-J. Lehmler, X. He, M. W. Duffel and S. Parkin


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.0111 Ang PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 14
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 21.37 PLAT434_ALERT_2_G Short Inter HL..HL Contact Cl2B .. Cl3A . 3.38 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 24 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 44
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 1 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 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 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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