Acta Cryst. (2006). E62, m478-m479  [ doi:10.1107/S1600536806004247 ]

Bis(tert-butyl isocyanide)-1²C-di--carbonyl-2:3⁴C-octacarbonyl-1²C,2³C,3³C-triangulo-diironosmium

C. Evans, L. J. Farrugia and M. Tegel

Online 10 February 2006

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.021
• wR factor = 0.042
• Data-to-parameter ratio = 34.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT128_ALERT_4_C Non-standard setting of Space group P21/c   ....    P21/a         
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.55 Ratio 
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C11     ..       9.31 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C12     ..       8.28 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C13     ..       6.91 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C24     ..       7.13 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C14     ..       5.68 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C21     ..       9.06 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C22     ..       7.99 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C23     ..       7.59 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe2    -   C24     ..       6.64 su    
PLAT320_ALERT_2_C Check Hybridisation of  C14    in Main Residue .          ?     
PLAT320_ALERT_2_C Check Hybridisation of  C24    in Main Residue .          ?     

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  14 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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