Acta Cryst. (2004). E60, m94-m95  [ doi:10.1107/S1600536803028630 ]

Aqua(1H-imidazole-N³)(triethanolamine-³O)copper(II) perchlorate hemi(benzene-1,4-dioxyacetate)

S. Gao, J.-W. Liu, J.-R. Li, L.-H. Huo and H. Zhao

Online 19 December 2003

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• R factor = 0.035
• wR factor = 0.092
• Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.99       
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cu1    -   O2       =       5.71 su    
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl1     
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor ....       2.46       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              C10 H8 O6                                                         

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion

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