Acta Cryst. (2008). E64, m635-m636  [ doi:10.1107/S1600536808008970 ]

(Carbonyl-1C)bis[2,3(⁵)-cyclopentadienyl][₃-(S-methyl trithiocarbonato)methylidyne-1:2:3⁴C,S'':C:C](triphenylphosphine-1P)(₃-sulfido-1:2:3³S)dicobalt(II)iron(II) trifluoromethanesulfonate

A. R. Manning, C. J. McAdam, A. J. Palmer and J. Simpson

Key indicators

• Single-crystal X-ray study
• T = 91 K
• Mean (C-C) = 0.005 Å
• R factor = 0.031
• wR factor = 0.068
• Data-to-parameter ratio = 12.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      24.16 Deg. 

Alert level C
THETM01_ALERT_3_C  The value of sine(theta_max)/wavelength is less than 0.590
            Calculated sin(theta_max)/wavelength =    0.5759
PLAT023_ALERT_3_C Resolution (too) Low [sin(th)/Lambda < 0.6].....      24.16 Deg. 
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Fe1    -   C4      ..       6.67 su   
PLAT320_ALERT_2_C Check Hybridisation of  C1     in Main Residue .          ?     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3C    ..  F3      ..       2.62 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H21    ..  O2      ..       2.64 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H21    ..  O3      ..       2.64 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H14    ..  F1      ..       2.56 Ang. 
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.12 Ratio

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   9 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
   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
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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