Acta Cryst. (2006). E62, m2668-m2669  [ doi:10.1107/S1600536806037871 ]

[1,2-Bis(1H-pyrrol-2-ylmethyleneamino)ethane-⁴N]iron(II)

J.-W. Ran, D.-J. Gong and Y.-H. Li

Online 22 September 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.008 Å
• R factor = 0.047
• wR factor = 0.126
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.97      
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.68 mm   
PLAT150_ALERT_1_C Volume as Calculated Differs from that Given ...     574.30 Ang-3
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   N1      ..       6.53 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   N2      ..       5.87 su   
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8      

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    

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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