Acta Cryst. (2010). E66, m430  [ doi:10.1107/S1600536810009505 ]

Bis[-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1H-benzimidazole)-²N³:N^3']bis[bis(4-methoxybenzoato-²O,O')cadmium(II)]

D.-Y. Zhao

Online 20 March 2010

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• R factor = 0.034
• wR factor = 0.051
• Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.20 Ratio
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.24 Ratio

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    --  O1      ..       5.61 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    --  O2      ..       8.67 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    --  O4      ..       8.60 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cd1    --  N1      ..       6.40 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O5     
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          8      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         40      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600       1479      

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        400 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C17     
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C29     

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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