(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, m366-m367 [ doi:10.1107/S1600536810007622 ]

{6,6'-Diethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne)]diphenolato}(2-ethoxy-6-formylphenolato)cobalt(III)-ethanol-water (1/1/1)

R. Kia, H. Kargar, K. Zare and I. U. Khan

Online 6 March 2010

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.007 Å
Disorder in solvent or counterion
R factor = 0.051
wR factor = 0.138
Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.13 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.83 Ratio
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          7      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          3      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595          3      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of        C35A     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of        C35B     

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ..           6      
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ...................      43.00 Perc.
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      

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

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