Acta Cryst. (2006). E62, m3096-m3097  [ doi:10.1107/S1600536806042723 ]

Dichlorobis(1-{[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole-N⁴)zinc(II)

X.-Q. Xie, C.-L. Yang, Q.-J. Li and J.-X. Luo

Online 27 October 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.008 Å
• R factor = 0.048
• wR factor = 0.114
• Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8A    ..  CL1     ..       2.90 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9     ..  O2      ..       2.70 Ang. 

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           26.00
           From the CIF: _reflns_number_total               2745
           Count of symmetry unique reflns         1600
           Completeness (_total/calc)            171.56%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1145
           Fraction of Friedel pairs measured     0.716
           Are heavy atom types Z>Si present        yes

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

   0 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
   1 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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