Acta Cryst. (2009). E65, m1110-m1111  [ doi:10.1107/S1600536809032553 ]

Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(4-hydroxybenzoato)manganese(III)

R. Reshma, P. V. Soumya, S. M. Simi, V. S. Thampidas and R. D. Pike

Online 22 August 2009

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.029
• wR factor = 0.082
• Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C3     --  C4      ..       8.04 su   

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O6     --  C2      ..       5.36 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    --  O3      ..       5.95 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    --  N2      ..       5.36 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     

Alert level G
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.43 mm   

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   0 ALERT type 5 Informative message, check

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