(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o3070
[ doi:10.1107/S1600536812040974 ]

(NB)-4-Methyl-3-pyridyl[N-methyliminodiacetate-O,O',N]borane

M. Dabrowski, K. Durka and J. Serwatowski

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
R factor = 0.052
wR factor = 0.147
Data-to-parameter ratio = 24.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      5.754      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          6      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600        199      
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......          !

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 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

   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
   2 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