Acta Cryst. (2006). E62, m3514-m3515  [ doi:10.1107/S1600536806047878 ]

Bis(3-hydroxybenzoato-O)bis(1H-imidazole-N³)copper(II)

J.-W. Liu, B. Zhu and S. W. Ng

Online 30 November 2006

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.004 Å
• R factor = 0.041
• wR factor = 0.132
• Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.22      
PLAT731_ALERT_1_C Bond    Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Ra
              O3   -H3O     1.555   1.555                                      
PLAT731_ALERT_1_C Bond    Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Ra
              N2   -H2N     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Ra
              O3   -H3O     1.555   1.555                                      
PLAT735_ALERT_1_C D-H     Calc     0.85(3), Rep   0.850(10) ......       3.00 su-Ra
              N2   -H2N     1.555   1.555                                      
PLAT736_ALERT_1_C H...A   Calc     1.76(3), Rep   1.760(10) ......       3.00 su-Ra
              H3O  -O2      1.555   1.556                                      

   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

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

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