Acta Cryst. (2007). E63, m2033  [ doi:10.1107/S1600536807031066 ]

trans-Bis{2-[3-(cyclohexylamino)propyliminomethyl]phenolato-²N,O}bis(thiocyanato-N)iron(II)

K. Chen, Y.-L. Zhang, M.-Q. Feng and C.-H. Liu

Online 5 July 2007

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.010 Å
• R factor = 0.062
• wR factor = 0.198
• Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.101
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.10      
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         45 Perc.
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96      
PLAT048_ALERT_1_C MoietyFormula Not Given ........................          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N3     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C13     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C17     
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...         10      
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3     
            N1  -FE1 -N1  -C1     13.00  0.00   3.567   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8     
            N1  -FE1 -N1  -C8      6.00  0.00   3.567   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         15     
            N3  -FE1 -N3  -C17   -89.00 10.00   3.567   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         16     
            O1  -FE1 -O1  -C3      8.00  0.00   3.567   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         53     
            FE1 -N3  -C17 -S1    -81.00 19.00   1.555   1.555   1.555   1.555  

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT794_ALERT_5_G Check Predicted Bond Valency for Fe1         (3)       2.77      

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

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

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