Acta Cryst. (2004). E60, m517-m518  [ doi:10.1107/S1600536804007354 ]

Hexaaquamanganese(II) benzene-1,4-dioxyacetate

J.-W. Liu, S. Gao, L.-H. Huo, H. Zhao and S. W. Ng

Online 9 April 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• R factor = 0.050
• wR factor = 0.169
• Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.08       
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Mn1     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.42       
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          6       

   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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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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