(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o380
[ doi:10.1107/S160053681300411X ]

4-(1H-Tetrazol-5-yl)benzene-1,3-diol

Y. Kim

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.003 Å
R factor = 0.057
wR factor = 0.168
Data-to-parameter ratio = 19.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given .....          ?
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...    -25.358      
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -2.124      
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -0.229      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          4      

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      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         15      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   6 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
   0 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