Acta Cryst. (2011). E67, m674  [ doi:10.1107/S1600536811015935 ]

(Dimethyl sulfoxide-O)(2-formylphenolato-²O,O')[2-(2-oxidobenzylideneamino)phenolato-³O,N,O']manganese(III)

I. Raja, K. M. Lo and S. W. Ng

Online 7 May 2011

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.005 Å
• Disorder in main residue
• R factor = 0.058
• wR factor = 0.129
• Data-to-parameter ratio = 17.2

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT924_ALERT_1_A The Reported and Calculated Rho(min) Differ by .       3.25 eA-3 

PLAT927_ALERT_1_A Reported and Calculated  wR2 * 100.0 Differ by .      -9.10      

Alert level B
PLAT410_ALERT_2_B Short Intra H...H Contact  H9     ..  H7'     ..       1.82 Ang. 
PLAT926_ALERT_1_B Reported and Calculated   R1 * 100.0 Differ by .      -3.92      
PLAT928_ALERT_1_B Reported and Calculated    S value   Differ by .      -0.64      

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8     --  C9      ..       5.67 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          2      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         10      
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.32 eA-3 

Alert level G
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................          7 Perc.

   2 ALERT level A = Most likely a serious problem - resolve or explain
   3 ALERT level B = A potentially serious problem, consider carefully
   6 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   1 ALERT level G = General information/check it is not something unexpected

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

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