Acta Cryst. (2005). E61, m1593-m1594  [ doi:10.1107/S1600536805022488 ]

mer-Bis(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-4-carbaldehyde 4,4-dimethylthiosemicarbazonato-³S,N,O)cobalt(III) tetrafluoroborate

J. Valdés-Martínez, S. Hernández-Ortega, D. X. West, A. K. El-Sawaf, R. M. El-Bahanasawy and F. A. El-Saied

Online 20 July 2005

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (C-C) = 0.006 Å
• Disorder in solvent or counterion
• R factor = 0.043
• wR factor = 0.109
• Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent .........          4       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.37 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.38 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C16     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C30     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C12     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C27     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      44.00 Perc. 

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

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

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