Acta Cryst. (2005). E61, m1447-m1448  [ doi:10.1107/S1600536805020313 ]

Hexacarbonylbis(₂-2-methoxyphenylthiolato)diiron(I)(Fe-Fe)

Y.-T. Si, C.-B. Ma, M.-Q. Hu and C.-N. Chen

Online 6 July 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.004 Å
• R factor = 0.032
• wR factor = 0.088
• Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Fe2    -   S1      ..      10.38 su    

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.15       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.76 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O6     -   C6      ..       5.03 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   S1      ..       5.33 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C4      ..       9.22 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C5      ..       7.57 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C6      ..       9.54 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C1      ..       8.77 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C2      ..       9.59 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C3      ..       8.61 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         O8     

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  11 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
  12 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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