Acta Cryst. (2004). E60, m1801-m1802  [ doi:10.1107/S1600536804028107 ]

{2-[2'-(Diethylcarbamoylmethoxy)-1,1'-binaphth-2-yloxy]-N,N-diethylacetamide-⁴O}(2,4,6-trinitrophenolato)manganese(II)

Y.-W. Wang, Y.-L. Guo, W.-S. Liu and K.-B. Yu

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.004 Å
• R factor = 0.040
• wR factor = 0.094
• Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors  for         O3     

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT213_ALERT_2_C Atom O4'     has ADP max/min Ratio .............       3.90 oblate
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.21 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         Mn     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         N4     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C18     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      12.00 Perc. 
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C18    -   C19    ...       1.36 Ang.  
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      38.50 Deg.  
              O9'  -N4   -O9      1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      24.40 Deg.  
              N2'  -C18  -N2      1.555   1.555   1.555                         

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   9 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

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