(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m354-m356 [ doi:10.1107/S1600536804004763 ]

Bis(pyridine-2-carbaldehyde thiosemicarbazonato)cobalt(III) perchlorate

H.-S. Wang, L. Huang, Z.-F. Chen, X.-W. Wang, J. Zhou, S.-M. Shi, H. Liang and K.-B. Yu

Online 13 March 2004

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.005 Å
R factor = 0.035
wR factor = 0.092
Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT031_ALERT_4_C Refined Extinction Parameter within Range ......       3.22 Sigma 
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....         Cl     
PLAT432_ALERT_2_C Short Inter X...Y Contact  O1     ..  C1      ..       3.00 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H6     ..  S2      ..       2.89 Ang.  
PLAT731_ALERT_1_C Bond    Calc     0.86(3), Rep   0.863(10) ......       3.00 su-Rat
              N4   -H4A     1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.87(3), Rep   0.862(10) ......       3.00 su-Rat
              N8   -H8B     1.555   1.555                                       
PLAT745_ALERT_1_C D-H     Calc     0.86(2), Rep     0.86000 ......    Missing su    
              N4   -H4B     1.555   1.555                                       
PLAT745_ALERT_1_C D-H     Calc     0.86(3), Rep     0.86000 ......    Missing su    
              N4   -H4A     1.555   1.555                                       
PLAT745_ALERT_1_C D-H     Calc   0.855(15), Rep     0.86000 ......    Missing su    
              N8   -H8A     1.555   1.555                                       
PLAT746_ALERT_1_C H...A   Calc     2.11(2), Rep     2.11000 ......    Missing su    
              H4B  -N3      1.555   2.766                                       
PLAT746_ALERT_1_C H...A   Calc     2.24(3), Rep     2.24000 ......    Missing su    
              H4A  -O4      1.555   1.655                                       
PLAT746_ALERT_1_C H...A   Calc   2.168(16), Rep     2.17000 ......    Missing su    
              H8A  -O1      1.555   2.677                                       

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

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