Acta Cryst. (2011). E67, m984  [ doi:10.1107/S1600536811023452 ]

Bis(bicyclo[2.2.1]hept-5-ene-2-carboxylato)-1²O,O';4²O,O'-di-₂-chlorido-1:2²Cl;3:4²Cl-octamethyl-1²C,2²C,3²C,4²C-di-₃-oxido-1:2:3³O;2:3:4³O-tetratin(IV)

Y. Ren

Online 25 June 2011

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.030 Å
• R factor = 0.047
• wR factor = 0.130
• Data-to-parameter ratio = 17.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT342_ALERT_3_B Low Bond Precision on  C-C Bonds (x 1000) Ang ..         30      

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.979      
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Sn1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Sn2     
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         63      

Alert level G
PLAT793_ALERT_4_G The Model has Chirality at C2      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C5      (Verify) ....          R      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          35 Perc.

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   5 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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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