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Acta Cryst. (2012). E68, m88  [ doi:10.1107/S1600536811054596 ]

Bis([mu]-pyridinium-2-carboxylato-[kappa]2O:O')bis[triaqua(sulfato-[kappa]O)manganese(II)]

H. A. Rasekh and B. Bahrami

Online 23 December 2011


Key indicators

checkCIF/PLATON results

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Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.955
Author Response: The quality of the crystal was not optimal and it was weakly diffracting. Although recrystallization was attempted repeatedly, better crystals were not obtained.
PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ...          1      
PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers .          1      

Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Mn1 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 89 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 9 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 9 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 50 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 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 9 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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