(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o1514 [ doi:10.1107/S1600536811018320 ]

1,5-Bis(1-phenylethylidene)thiocarbonohydrazide

L. Feng, H. Ji, R. Wang, H. Ge and L. Li

Online 25 May 2011

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.047
wR factor = 0.146
Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT414_ALERT_2_B Short Intra D-H..H-X       H1     ..  H3A     ..       1.85 Ang. 

Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C14     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.42      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         34      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          2      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)       3000 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          48 Perc.

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

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