Acta Cryst. (2012). E68, m1405-m1406
[ doi:10.1107/S1600536812043437 ]

Hexakis(₃-1-methylthiourea-³S:S:S)hexakis[iodidocopper(I)]

S. Ahmad, M. Mufakkar, I. U. Khan, H.-K. Fun and A. Waheed

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (N-C) = 0.005 Å
• R factor = 0.027
• wR factor = 0.061
• Data-to-parameter ratio = 30.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      3.476      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          3      
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.      17.04      
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  I1     --  Cu1     ..       15.3 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1    --  S1      ..       19.8 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1    --  S1_a    ..       20.5 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cu1    --  S1_e    ..       48.7 su   
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          3      
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.50 Ratio

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   1 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   9 ALERT level G = General information/check it is not something unexpected

   0 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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