Acta Cryst. (2005). E61, m1818-m1820  [ doi:10.1107/S1600536805026000 ]

(Acetato-O)bis(morpholine-N)[salicylaldehyde (2-nitrophenoxyacetyl)hydrazonato-³O,N,O']cobalt(III)

M.-M. Sun, W.-P. Li and S.-X. Liu

Online 20 August 2005

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.038
• wR factor = 0.102
• Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found





Alert level A
DIFF020_ALERT_1_A  _diffrn_standards_interval_count and
            _diffrn_standards_interval_time are missing. Number of measurements
            between standards or time (min) between standards.
TYPE108_ALERT_1_A  _atom_site_aniso_U_33 is not of type numb.
PLAT211_ALERT_2_A ADP of Atom N2      is NPD .....................          ?     
PLAT217_ALERT_1_A Incomplete U(aniso) data for ...................         N2     

Alert level B
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          2       

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.752     0.934
            Tmin(prime) and Tmax expected:      0.871     0.934
            RR(prime) =      0.864
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.86       
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.33 Ratio 
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.87 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C13     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc. 
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3     
            O8  -CO1 -N1  -C7    135.40  0.50   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8     
            O8  -CO1 -N1  -N2    -44.20  0.60   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         14     
            O2  -CO1 -O1  -C1      8.00  4.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         19     
            O1  -CO1 -O2  -C8      8.00  4.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         39     
            N5  -CO1 -N4  -C19    61.10  0.60   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         44     
            N5  -CO1 -N4  -C16  -165.80  0.50   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         49     
            N4  -CO1 -N5  -C23    78.30  0.60   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         54     
            N4  -CO1 -N5  -C20  -147.80  0.50   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         55     
            N1  -CO1 -O8  -C24   164.90  0.50   1.555   1.555   1.555   1.555   
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      26.70 Deg.  
              O5A  -N3   -O5B     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      36.90 Deg.  
              O4B  -N3   -O4A     1.555   1.555   1.555                         

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

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

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