Acta Cryst. (2006). E62, m1293-m1295  [ doi:10.1107/S1600536806016291 ]

catena-Poly[[[diaquamanganese(II)]bis(-1H-benzimidazole-5-carboxylato)-²N³:O;²O:N³] dihydrate]

Q.-J. Deng, M.-H. Zeng, H. Liang, S. W. Ng and K.-L. Huang

Online 12 May 2006

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.003 Å
• R factor = 0.028
• wR factor = 0.082
• Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4       
PLAT731_ALERT_1_C Bond    Calc     0.84(3), Rep   0.840(10) ......       3.00 su-Rat
              O1W  -H1W2    1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.84(3), Rep   0.840(10) ......       3.00 su-Rat
              O1W  -H2#     1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     1.87(3), Rep   1.870(10) ......       3.00 su-Rat
              H2#  -O2W     1.555   1.555                                       

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

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

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