Acta Cryst. (2010). E66, m535-m536  [ doi:10.1107/S1600536810012559 ]

Octakis(2-chlorobenzyl)di-₂-hydroxido-di-₃-oxido-bis(2-phenylacetato)tetratin(IV)

W.-B. Peng, G.-Q. Li, H. Yin and X. Zhao

Online 17 April 2010

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.013 Å
• R factor = 0.040
• wR factor = 0.121
• Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.25 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C2     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C8     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C33     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
PLAT331_ALERT_2_C Small Average Phenyl   C-C Dist. C3     -C8            1.36 Ang. 
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         13      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595        149      
PLAT234_ALERT_4_C Large Hirshfeld Difference C28    --  C29     ..       0.15 Ang. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  12 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
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 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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