[Open access]

Acta Cryst. (2013). E69, i77-i78
[ doi:10.1107/S1600536813028602 ]

Sodium selenite penta­hydrate, Na2SeO3·5H2O

K. Mereiter


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 5 PLAT976_ALERT_2_C Negative Residual Density at 0.57A from O5W . -0.44 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 17 Note
Author Response: H atom positions positions of the water molecules were refined in x,y,z using SADI 0.01 restraints for O---H bond lengths and SADI 0.01 restraints for intramolecular H---H distances.
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF     Please Do ! 
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ     Please Check
Author Response: Moiety formula Na2SeO3.5H2O was preferred over O3 Se, 5(H2 O), 2(Na)
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          1       
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          7       
              H2 O                                                              
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............         70 Note  
Author Response: H atom positions positions of the water molecules were refined in x,y,z using SADI 0.01 restraints for O---H bond lengths and SADI 0.01 restraints for intramolecular H---H distances. This generates the 70 least squares restraints.

0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 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 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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