Acta Cryst. (2005). E61, m1419-m1421  [ doi:10.1107/S1600536805019665 ]

Diaqua(cyclohexane-1,1-diacetato-²O,O')(phenanthroline-²N,N')manganese(II) trihydrate

L. Shen, L.-C. Yan, Z.-M. Jin and Y.-J. Zhang

Online 30 June 2005

Key indicators

• Single-crystal X-ray study
• T = 297 K
• Mean (C-C) = 0.004 Å
• R factor = 0.035
• wR factor = 0.075
• Data-to-parameter ratio = 18.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.98 Ratio 
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    -   N2      ..       6.24 su    
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C18     

   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

   2 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
   0 ALERT type 4 Improvement, methodology, query or suggestion

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