Acta Cryst. (2010). E66, m888  [ doi:10.1107/S1600536810025699 ]

Diaqua(1,4,8,11-tetraazacyclotetradecane-⁴N¹,N⁴,N⁸,N¹¹)copper(II) didecanoate dihydrate

N. S. Ahmad Tajidi, N. Abdullah, Z. Arifin, K. W. Tan and S. W. Ng

Online 7 July 2010

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.035
• wR factor = 0.086
• Data-to-parameter ratio = 19.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         13      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2      
              C10 H19 O2                                                       
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         15      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT793_ALERT_4_G The Model has Chirality at N1      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at N2      (Verify) ....          S      

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

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

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