Acta Cryst. (2004). E60, m98-m99  [ doi:10.1107/S1600536803028654 ]

Bis(o-chlorophenylbenzoylthiourea-S)diiodomercury(II)

M. S. M. Yusof, B. M. Yamin and M. B. Kassim

Online 19 December 2003

Key indicators

• Single-crystal X-ray study
• T = 293 K
• R factor = 0.042
• wR factor = 0.098
• Data-to-parameter ratio = 20.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Hg1    -   S1       =      19.03 su    

Alert level C
CELLV02_ALERT_1_C  The supplied cell volume s.u. differs from that
            calculated from the cell parameter s.u.'s by > 2
            Calculated cell volume su =      14.38
            Cell volume su given      =      11.00
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Hg1    -   I1       =       7.94 su    
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10       
PLAT414_ALERT_2_C Short Intra D-H..H-X       H1A    ..  H1B      =       1.99 Ang.  
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1A    ...          ?       

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   0 ALERT type 4 Improvement, methodology, query or suggestion

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