Acta Cryst. (2009). E65, m391  [ doi:10.1107/S1600536809007971 ]

Bis(⁵-pentamethylcyclopentadienyl)cobalt(II)

M. M. Clark, W. W. Brennessel and P. L. Holland

Online 11 March 2009

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.001 Å
• R factor = 0.031
• wR factor = 0.089
• Data-to-parameter ratio = 28.4

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   100.000
            Value of melting point given =     0.000
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Co1    --  C2      ..       5.49 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Co1    --  C3      ..       5.15 su   
PLAT391_ALERT_3_C Deviating Methyl C5      H-C-H Bond Angle ......     100.30 Deg. 
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          8      
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety         C4     

Alert level G
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            C1  -CO1 -C1  -C2     22.38  0.12   9.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          9     
            C1  -CO1 -C1  -C2    -95.59  0.13   9.555   1.555   1.555  12.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         17     
            C1  -CO1 -C1  -C4    143.40  0.12   9.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         41     
            C2  -CO1 -C2  -C3     59.29  0.05   9.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         49     
            C2  -CO1 -C2  -C1    -59.99  0.06   9.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         58     
            C2  -CO1 -C2  -C5    179.75  0.09   9.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         70     
            C3  -CO1 -C3  -C2   -112.12  0.06   9.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         77     
            C3  -CO1 -C3  -C3      6.32  0.02   9.555   1.555   1.555  12.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         86     
            C3  -CO1 -C3  -C6    126.64  0.08   9.555   1.555   1.555   1.555  

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

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

Copyright © International Union of Crystallography
IUCr Webmaster