Acta Cryst. (2008). E64, m680  [ doi:10.1107/S1600536808010003 ]

-1,2-Di-4-pyridylethane-²N:N'-bis[bis(N,N-diisopropyldithiocarbamato-²S,S')zinc(II)]

V. Avila and E. R. T. Tiekink

Key indicators

• Single-crystal X-ray study
• T = 98 K
• Mean (C-C) = 0.003 Å
• R factor = 0.041
• wR factor = 0.090
• Data-to-parameter ratio = 20.8

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.757     1.000
            Tmin(prime) and Tmax expected:      0.818     0.866
            RR(prime) =      0.801
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.80      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.87      
PLAT150_ALERT_1_C Volume as Calculated Differs from that Given ...    5064.00 Ang-3
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.70 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    S4     -   C8      ..       5.62 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    S6     -   C27     ..       5.16 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Zn2    -   S6      ..       8.96 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Zn2    -   S8      ..       8.53 su   

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.866
            Tmax scaled      0.866 Tmin scaled      0.655

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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