Acta Cryst. (2006). E62, m3318-m3320  [ doi:10.1107/S1600536806047106 ]

-Tris(2,4-pentanedionato-²O,O')aluminium(III) at 110 K

L. S. von Chrzanowski, M. Lutz and A. L. Spek

Online 15 November 2006

Key indicators

• Single-crystal X-ray study
• T = 110 K
• Mean (C-C) = 0.003 Å
• R factor = 0.031
• wR factor = 0.076
• Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.630     0.970
            Tmin(prime) and Tmax expected:      0.934     0.965
            RR(prime) =      0.671
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.67      

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O54    -   C124    ..       5.60 su   
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C51     

Alert level G
REFLT03_ALERT_4_G  ALERT: MoKa measured Friedel data cannot be used to
                   determine absolute structure in a light-atom
                   study EXCEPT under VERY special conditions.
                   It is preferred that Friedel data is merged in such cases.
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _reflns_number_total              14519
           Count of symmetry unique reflns         7870
           Completeness (_total/calc)            184.49%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      6649
           Fraction of Friedel pairs measured     0.845
           Are heavy atom types Z>Si present         no

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   2 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
   1 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
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster