Acta Cryst. (2008). E64, m626-m627  [ doi:10.1107/S1600536808006818 ]

The cocrystal aquachlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-⁴O,N,N',O'}manganese(III)-chlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-⁴O,N,N',O'}(methanol-O)manganese(III) (1/1)

N. E. Eltayeb, S. G. Teoh, S. Chantrapromma, H.-K. Fun and R. Adnan

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.006 Å
• R factor = 0.057
• wR factor = 0.147
• Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O3B    -   C29B    ..      12.19 su   
PLAT420_ALERT_2_B D-H Without Acceptor       O1WA   -   H1WA   ...          ?      

Alert level C
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)         30 Ang. 
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          4      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.89 Ratio
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.62 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.07 Ratio
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         14      

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

   2 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
   2 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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