[Open access]

[Contents scheme]

Acta Cryst. (2014). E70, o522
[ doi:10.1107/S160053681400720X ]

(5-Fluoro-4'-methyl­biphenyl-3-yl)(2,4,6-tri­methyl­phen­yl)iodo­nium tri­fluoro­methane­sulfonate

Y. Shao, X.-L. Liu, Z.-H. Wu and Y.-A. Xia


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT431_ALERT_2_A Short Inter HL..A Contact I1 .. O3 .. 2.86 Ang.
Author Response: Extremely short intermolecular I...O contacts occur, due to strong electrostatic interactions between the I atom and two adjacent trifluoromethanesulfonate counter-ions.
PLAT431_ALERT_2_A Short Inter HL..A  Contact I1     ..  O1      ..       2.93 Ang.  
Author Response: Extremely short intermolecular I...O contacts occur, due to strong electrostatic interactions between the I atom and two adjacent trifluoromethanesulfonate counter-ions.

Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 6 Check
Alert level C PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C17 Check PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of S3 Check PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0087 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.983 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2 Why ? PLAT918_ALERT_3_C Reflection(s) with I(obs) much smaller I(calc) . 3 Check PLAT975_ALERT_2_C Check Calcd Residual Density 1.04A From O1 0.58 eA-3 PLAT975_ALERT_2_C Check Calcd Residual Density 0.76A From O2 0.52 eA-3 PLAT975_ALERT_2_C Check Calcd Residual Density 1.03A From O1 0.51 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of C21 Check PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
2 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 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