Acta Cryst. (2009). E65, i32  [ doi:10.1107/S160053680901201X ]

A new aquamanganese(II) oxalate phosphate, Mn(C₂O₄)Mn₃(PO₄)₂(H₂O)₂

J. Zheng, Y. Shen, T. Song and A. Zhang

Online 2 April 2009

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.003 Å
• R factor = 0.026
• wR factor = 0.065
• Data-to-parameter ratio = 15.6

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   296.000
            Value of melting point given =     0.000
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mn1    --  O7W     ..       5.30 su   
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) .....         10 Ang. 
PLAT732_ALERT_1_C Angle   Calc      102(3), Rep   101.8(13) ......       2.31 su-Ra
              H7A  -O7W  -H7B     1.555   1.555   1.555                        

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.906
            Tmax scaled      0.470 Tmin scaled      0.412
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      
PLAT062_ALERT_4_G Rescale T(min) & T(max) by .....................       0.91      
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.26 Ratio

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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