Acta Cryst. (2010). E66, m714  [ doi:10.1107/S1600536810019148 ]

Bis{1,2-bis[2-(1H-imidazol-1-yl)ethoxy]ethane-²N³,N^3'}dichloridocadmium(II) monohydrate

G.-X. Liu

Online 29 May 2010

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.006 Å
• R factor = 0.030
• wR factor = 0.087
• Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.02 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C16     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C18     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cd2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C19     
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C16    -   C17    ...       1.35 Ang. 
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C18    -   C19    ...       1.36 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          5      
PLAT234_ALERT_4_C Large Hirshfeld Difference O2     --  C17     ..       0.15 Ang. 
PLAT234_ALERT_4_C Large Hirshfeld Difference C16    --  C17     ..       0.17 Ang. 

Alert level G
PLAT343_ALERT_2_G Check sp3     Angle Range in Main Residue for ..        C18      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          8      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      

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

   2 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
   2 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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