Acta Cryst. (2004). E60, m1063-m1065  [ doi:10.1107/S1600536804015910 ]

Tris(1H-benzimidazole-N³)(iminodiacetato-²O,O')manganese(II) dihydrate

J.-R. Su, K.-L. Yin and D.-J. Xu

Online 9 July 2004

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.004 Å
• R factor = 0.042
• wR factor = 0.111
• Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn     -   O3      ..       5.07 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C2     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C1     
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              H2 O                                                              
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          3       
              H2 O                                                              

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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