Acta Cryst. (2006). E62, m434-m436  [ doi:10.1107/S1600536806003242 ]

Tris(tert-butyl 3-oxobutanoato-²O¹,O³)aluminium(III) at 153 K

M. S. Dharmaprakash, S. Thamotharan, G. M. Neelgund and S. A. Shivashankar

Online 3 February 2006

Key indicators

• Single-crystal X-ray study
• T = 153 K
• Mean (C-C) = 0.004 Å
• R factor = 0.058
• wR factor = 0.157
• Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Al     -   O1      ..      11.18 su    
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Al     -   O2      ..      11.55 su    
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Al     -   O7      ..      12.61 su    
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C20     

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.63       
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Al     -   O4      ..       6.31 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Al     -   O5      ..       9.99 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Al     -   O8      ..       9.20 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         Al     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C4     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C12     

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  11 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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