Acta Cryst. (2010). E66, o2646  [ doi:10.1107/S1600536810037864 ]

[2,2'-Iminodiethanolato(2-)-³O,N,O'][4-(methoxycarbonylmethyl)phenyl]boron

A. L. Zein, L. N. Dawe and P. E. Georghiou

Online 30 September 2010

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (C-C) = 0.004 Å
• R factor = 0.043
• wR factor = 0.112
• Data-to-parameter ratio = 10.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _reflns_number_total               1725
           Count of symmetry unique reflns         1726
           Completeness (_total/calc)             99.94%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present         no

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

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

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