Acta Cryst. (2004). E60, m687-m689  [ doi:10.1107/S1600536804009936 ]

Di--phenylmethanethiolatobis[dicarbonyl(⁵-cyclopentadienyl)molydenum(II)]

R. C. S. Wong, M. L. Ooi, K. M. Lo and S. W. Ng

Online 30 April 2004

Key indicators

• Single-crystal X-ray study
• T = 163 K
• Mean (C-C) = 0.004 Å
• R factor = 0.025
• wR factor = 0.050
• Data-to-parameter ratio = 17.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT732_ALERT_1_B Angle   Calc    69.67(2), Rep   69.70(10) ......       5.00 su-Rat
              S1   -MO1  -S2      1.555   1.555   1.555                         
PLAT732_ALERT_1_B Angle   Calc    69.59(2), Rep   69.60(10) ......       5.00 su-Rat
              S1   -MO2  -S2      1.555   1.555   1.555                         

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.57 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O1     -   C25     ..       6.30 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O3     -   C27     ..       5.24 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   S1      ..       6.53 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   S2      ..       6.78 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   C25     ..       9.26 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   S1      ..       6.09 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   S2      ..       7.19 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   C27     ..       7.77 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo2    -   C28     ..       7.19 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C6     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Mo2     
PLAT702_ALERT_1_C Angle   Calc    69.67(2), Rep   69.70(10), Dev..       1.50 Sigma 
              S1   -MO1  -S2      1.555   1.555   1.555                         

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

   4 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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