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Acta Cryst. (2013). E69, m366-m367  [ doi:10.1107/S1600536813014736 ]

Poly[[pentaaquabis([mu]3-hydrogen squarato)barium] monohydrate]

C. Trifa, A. Bouhali, S. Bouacida, C. Boudaren and H. Merazig


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Alert level C PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.66 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.15 PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 -- C1 .. 5.9 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O2 -- C2 .. 5.1 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O8 -- C8 .. 5.4 su PLAT417_ALERT_2_C Short Inter D-H..H-D H5A .. H11B .. 2.13 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.596 5
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 94 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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