(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, m122-m123
[ doi:10.1107/S1600536813000044 ]

Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-O)tetrakis(methanol-O)calcium methanol tetrasolvate

N. Kim, H. Noh, S. Yoon and C. R. Park

Key indicators

Single-crystal X-ray study
T = 200 K
Mean (C-C) = 0.004 Å
R factor = 0.064
wR factor = 0.165
Data-to-parameter ratio = 19.0

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.12
            Rint given   0.143
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         46 Perc.
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.621      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          2      
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          4      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

   1 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
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check