[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m602-m603
[ doi:10.1107/S1600536813027761 ]

Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-[kappa]2N3,O4]barium tetrahydrate

N. Dinh Do, O. Kovalchukova, A. Stash and S. Strashnova


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 4
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 19 Note 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 PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C1 -C6 1.46 Ang. PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.86 Ratio PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 H2 O PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 17 Note PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 3 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 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster