Acta Cryst. (2010). E66, m679  [ doi:10.1107/S1600536810017605 ]

Ferrocene-1-carbaldehyde thiosemicarbazone

M. R. Vikneswaran, S. G. Teoh, C. S. Yeap and H.-K. Fun

Online 22 May 2010

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.007 Å
• R factor = 0.066
• wR factor = 0.169
• Data-to-parameter ratio = 18.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.34      
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          7      

Alert level G
PLAT432_ALERT_2_G Short Inter X...Y Contact  C12B   ..  C12B    ..       3.17 Ang. 
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        200 Deg. 
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........         24      

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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