Acta Cryst. (2007). E63, i24-i26  [ doi:10.1107/S1600536806054742 ]

Redetermination of Cs[MnCl₃(H₂O)₂]

W. Massa, O. V. Yakubovich and O. V. Dimitrova

Online 6 January 2007

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (n-O) = 0.005 Å
• R factor = 0.034
• wR factor = 0.068
• Data-to-parameter ratio = 27.8

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.596     0.625
            Tmin and Tmax expected:      0.590     0.740
            RR =      1.197
            Please check that your absorption correction is appropriate.
GOODF01_ALERT_2_C  The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.784
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.20      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       1.18      

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      1.184
            Tmax scaled      0.740 Tmin scaled      0.706
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   2 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
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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