Acta Cryst. (2004). E60, m603-m605  [ doi:10.1107/S1600536804009018 ]

Tris[2-(cyclopropyliminomethyl)phenolato]manganese(III)

Z.-L. You, H.-L. Zhu and W.-S. Liu

Online 24 April 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.011 Å
• R factor = 0.069
• wR factor = 0.184
• Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found




Alert level B
RINTA01_ALERT_3_B  The value of Rint is greater than 0.15
            Rint given   0.157
PLAT020_ALERT_3_B The value of Rint is greater than 0.10 .........       0.16       
PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density ....       4.08       
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C29    -   C30     ..       8.64 su    
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....        C30     

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         41 Perc. 
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.66 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C28    -   C30     ..       5.23 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    -   O2      ..       6.24 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    -   N2      ..       5.19 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    -   N3      ..       7.51 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn2    -   O5      ..       5.77 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn2    -   O6      ..       5.84 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn2    -   N4      ..       5.96 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O2     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C10     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C20     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O5     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Mn1     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Mn2     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         11       
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C28    -   C30    ...       1.41 Ang.  
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C29    -   C30    ...       1.42 Ang.  

   0 ALERT level A = In general: serious problem
   5 ALERT level B = Potentially serious problem
  18 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
  19 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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